2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide

C20H17N5OS — CID 1082785

IUPAC2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(Nc2nc3ccccc3s2)nc1C
InChIInChI=1S/C20H17N5OS/c1-12-7-3-4-8-15(12)23-18(26)14-11-21-19(22-13(14)2)25-20-24-16-9-5-6-10-17(16)27-20/h3-11H,1-2H3,(H,23,26)(H,21,22,24,25)
InChIKeyYBWKSEMGFCEYGG-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.70
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide

2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 1082785) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide
PubChem CID1082785
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(Nc2nc3ccccc3s2)nc1C
InChIInChI=1S/C20H17N5OS/c1-12-7-3-4-8-15(12)23-18(26)14-11-21-19(22-13(14)2)25-20-24-16-9-5-6-10-17(16)27-20/h3-11H,1-2H3,(H,23,26)(H,21,22,24,25)
InChIKeyYBWKSEMGFCEYGG-UHFFFAOYSA-N
XLogP4.70
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,6-dimethylpyrimidin-4-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911267
N-(2,6-dimethylphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 21911586
N-{6-[2-(Methylsulfanyl)pyrimidin-4-Yl]-1,3-Benzothiazol-2-Yl}acetamide
CID 25183031
[6-[[4-[2-(Dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 163183800
N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 958632
N-[Benzo[d]thiazol-2-yl]nicotinamide
CID 571618
N-{3-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-benzyl}-acetamide
CID 10361685
US20230303553, Example 51
CID 169073871
6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 156013713
2-tert-butyl-N-[[2-methyl-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 162648404
1-[2-(1,3-Benzothiazol-2-ylamino)-4,6-dimethylpyrimidin-5-yl]ethanone
CID 939124
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2486876

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide (CID 1082785) is 2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide is Cc1ccccc1NC(=O)c1cnc(Nc2nc3ccccc3s2)nc1C.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is YBWKSEMGFCEYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-12-7-3-4-8-15(12)23-18(26)14-11-21-19(22-13(14)2)25-20-24-16-9-5-6-10-17(16)27-20/h3-11H,1-2H3,(H,23,26)(H,21,22,24,25).
What are the key properties of 2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide?
2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 375.46 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 1082785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).