N-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide

C18H20N6OS — CID 10361685

IUPACN-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide
SMILESCNc1nc(C)c(-c2ccnc(Nc3cccc(CNC(C)=O)c3)n2)s1
InChIInChI=1S/C18H20N6OS/c1-11-16(26-18(19-3)22-11)15-7-8-20-17(24-15)23-14-6-4-5-13(9-14)10-21-12(2)25/h4-9H,10H2,1-3H3,(H,19,22)(H,21,25)(H,20,23,24)
InChIKeyKAYOLUCDHCQCAT-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.33
Rot. Bonds6

About N-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide

N-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide (PubChem CID 10361685) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide
PubChem CID10361685
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide
SMILESCNc1nc(C)c(-c2ccnc(Nc3cccc(CNC(C)=O)c3)n2)s1
InChIInChI=1S/C18H20N6OS/c1-11-16(26-18(19-3)22-11)15-7-8-20-17(24-15)23-14-6-4-5-13(9-14)10-21-12(2)25/h4-9H,10H2,1-3H3,(H,19,22)(H,21,25)(H,20,23,24)
InChIKeyKAYOLUCDHCQCAT-UHFFFAOYSA-N
XLogP3.33
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide with MolForge

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Related Compounds

Stf-62247
CID 704473
Thiazovivin
CID 46209426
4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
N-(4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-YL)-N',N'-dimethyl-benzene-1,4-diamine
CID 447962
2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 25113172
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
2-Pyrimidinamine, 4-(2,4-dimethyl-5-thiazolyl)-N-phenyl-
CID 6539280
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-fluorophenyl)pyrimidin-2-amine
CID 6539285
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
CID 6539286
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 35
CID 6539300

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide (CID 10361685) is N-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide is CNc1nc(C)c(-c2ccnc(Nc3cccc(CNC(C)=O)c3)n2)s1.
What is the InChIKey of N-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide?
The InChIKey is KAYOLUCDHCQCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-11-16(26-18(19-3)22-11)15-7-8-20-17(24-15)23-14-6-4-5-13(9-14)10-21-12(2)25/h4-9H,10H2,1-3H3,(H,19,22)(H,21,25)(H,20,23,24).
What are the key properties of N-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide?
N-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide has a molecular weight of 368.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide is sourced from PubChem (CID 10361685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).