N-[[4-(6-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide

C20H23N5OS — CID 162662263

IUPACN-[[4-(6-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(-c2cc(N)ncn2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C20H23N5OS/c1-12-7-13(15-8-17(21)25-11-24-15)5-6-14(12)9-22-18(26)16-10-23-19(27-16)20(2,3)4/h5-8,10-11H,9H2,1-4H3,(H,22,26)(H2,21,24,25)
InChIKeyZQVDZNIAPQVRQQ-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.72
Rot. Bonds4

About N-[[4-(6-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide

N-[[4-(6-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide (PubChem CID 162662263) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-[[4-(6-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(6-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide
PubChem CID162662263
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-[[4-(6-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(-c2cc(N)ncn2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C20H23N5OS/c1-12-7-13(15-8-17(21)25-11-24-15)5-6-14(12)9-22-18(26)16-10-23-19(27-16)20(2,3)4/h5-8,10-11H,9H2,1-4H3,(H,22,26)(H2,21,24,25)
InChIKeyZQVDZNIAPQVRQQ-UHFFFAOYSA-N
XLogP3.72
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 25113172
SirReal2
CID 1096292
2-[(2,6-dimethylpyrimidin-4-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911267
2-(pyridin-2-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911293
N-(2,6-dimethylphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 21911586
1-[2-(2-{[2-(Dimethylamino)ethyl]amino}-6-{2-[(1-Methylethyl)amino]-1,3-Thiazol-5-Yl}pyrimidin-4-Yl)benzyl]-3-Ethylurea
CID 46864262
2-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 91809176
2-tert-butyl-N-[2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-thiazole-5-carboxamide
CID 118139251
N-[(3,5-difluoro-2-pyridinyl)methyl]-2-[4-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 156735204
N-{3-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-benzyl}-acetamide
CID 10361685
2-tert-butyl-N-[[2-methyl-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 162648404
N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide
CID 9924607

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[4-(6-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide (CID 162662263) is N-[[4-(6-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[4-(6-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[4-(6-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide is Cc1cc(-c2cc(N)ncn2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1.
What is the InChIKey of N-[[4-(6-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZQVDZNIAPQVRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-12-7-13(15-8-17(21)25-11-24-15)5-6-14(12)9-22-18(26)16-10-23-19(27-16)20(2,3)4/h5-8,10-11H,9H2,1-4H3,(H,22,26)(H2,21,24,25).
What are the key properties of N-[[4-(6-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide?
N-[[4-(6-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-aminopyrimidin-4-yl)-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162662263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).