N-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine

C21H24N6OS — CID 134605332

IUPACN-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2ncc(-c3ccccn3)s2)nc(N2CCN(C3COC3)CC2)c1
InChIInChI=1S/C21H24N6OS/c1-15-10-19(25-21-23-12-18(29-21)17-4-2-3-5-22-17)24-20(11-15)27-8-6-26(7-9-27)16-13-28-14-16/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,23,24,25)
InChIKeyCWKKYTAISQRMMF-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.17
Rot. Bonds5

About N-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine

N-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 134605332) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID134605332
Molecular FormulaC21H24N6OS
Molecular Weight408.53 g/mol
Exact Mass408.17
IUPAC NameN-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2ncc(-c3ccccn3)s2)nc(N2CCN(C3COC3)CC2)c1
InChIInChI=1S/C21H24N6OS/c1-15-10-19(25-21-23-12-18(29-21)17-4-2-3-5-22-17)24-20(11-15)27-8-6-26(7-9-27)16-13-28-14-16/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,23,24,25)
InChIKeyCWKKYTAISQRMMF-UHFFFAOYSA-N
XLogP3.17
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

ethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 143591666
N-[4-(difluoromethyl)-6-methoxy-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine
CID 134605513
N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine
CID 24831962
2-[[6-methyl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
CID 87663042
5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979013
5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 139474272
N,4-dimethyl-6-morpholin-4-ylpyridin-2-amine;ethane
CID 177153014
5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 18506878
2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol
CID 71479430
N-[3-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1-(2-methylphenyl)-1,2,4-triazol-3-amine;molecular hydrogen
CID 157147839
2-methyl-N-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875519
N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 25011967

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine (CID 134605332) is N-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine is Cc1cc(Nc2ncc(-c3ccccn3)s2)nc(N2CCN(C3COC3)CC2)c1.
What is the InChIKey of N-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is CWKKYTAISQRMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-15-10-19(25-21-23-12-18(29-21)17-4-2-3-5-22-17)24-20(11-15)27-8-6-26(7-9-27)16-13-28-14-16/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,23,24,25).
What are the key properties of N-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine?
N-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 408.53 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 134605332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).