4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde

C27H36N8OS3 — CID 144984124

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde
SMILESC=O.CCN(C[C@H]1CCCN1)c1ncc(SC)cn1.Cc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1
InChIInChI=1S/C14H14N4S2.C12H20N4S.CH2O/c1-8-4-5-12(15-6-8)18-14-17-11(7-19-14)13-9(2)16-10(3)20-13;1-3-16(9-10-5-4-6-13-10)12-14-7-11(17-2)8-15-12;1-2/h4-7H,1-3H3,(H,15,17,18);7-8,10,13H,3-6,9H2,1-2H3;1H2/t;10-;/m.1./s1
InChIKeyRDDFKLDCRMDMGD-ZKYZXAGVSA-N
MW584.84 g/mol
LogP5.92
Rot. Bonds8

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde (PubChem CID 144984124) has the molecular formula C27H36N8OS3 and a molecular weight of 584.84 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde
PubChem CID144984124
Molecular FormulaC27H36N8OS3
Molecular Weight584.84 g/mol
Exact Mass584.22
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde
SMILESC=O.CCN(C[C@H]1CCCN1)c1ncc(SC)cn1.Cc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1
InChIInChI=1S/C14H14N4S2.C12H20N4S.CH2O/c1-8-4-5-12(15-6-8)18-14-17-11(7-19-14)13-9(2)16-10(3)20-13;1-3-16(9-10-5-4-6-13-10)12-14-7-11(17-2)8-15-12;1-2/h4-7H,1-3H3,(H,15,17,18);7-8,10,13H,3-6,9H2,1-2H3;1H2/t;10-;/m.1./s1
InChIKeyRDDFKLDCRMDMGD-ZKYZXAGVSA-N
XLogP5.92
TPSA108.82 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500584.84
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde with MolForge

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Related Compounds

Ulecaciclib
CID 126535127
[4-(6-Methyl-imidazo[2,1-b]thiazol-5-yl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 644740
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 137652676
N-cyclopentyl-5-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 135286343
N-[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-4-methyl-2-pyridinamine
CID 2877671
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyridin-4-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522219
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522311
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522312
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-pyrazin-2-ylethyl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522316
N-(3-imidazol-1-ylpropyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522317
N-(pyridin-4-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522324
N-methyl-2-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56905752

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde (CID 144984124) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde is C=O.CCN(C[C@H]1CCCN1)c1ncc(SC)cn1.Cc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde?
The InChIKey is RDDFKLDCRMDMGD-ZKYZXAGVSA-N. The full InChI is InChI=1S/C14H14N4S2.C12H20N4S.CH2O/c1-8-4-5-12(15-6-8)18-14-17-11(7-19-14)13-9(2)16-10(3)20-13;1-3-16(9-10-5-4-6-13-10)12-14-7-11(17-2)8-15-12;1-2/h4-7H,1-3H3,(H,15,17,18);7-8,10,13H,3-6,9H2,1-2H3;1H2/t;10-;/m.1./s1.
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde has a molecular weight of 584.84 g/mol, XLogP of 5.92, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;N-ethyl-5-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-amine;formaldehyde is sourced from PubChem (CID 144984124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).