N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide

C18H18ClN5OS — CID 16584144

IUPACN-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide
SMILESCc1nc(Nc2nc(C)c(C(=O)Nc3cccc(Cl)c3)c(C)n2)sc1C
InChIInChI=1S/C18H18ClN5OS/c1-9-12(4)26-18(22-9)24-17-20-10(2)15(11(3)21-17)16(25)23-14-7-5-6-13(19)8-14/h5-8H,1-4H3,(H,23,25)(H,20,21,22,24)
InChIKeyTWIMTJWCWLLDSZ-UHFFFAOYSA-N
MW387.90 g/mol
LogP4.82
Rot. Bonds4

About N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide

N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide (PubChem CID 16584144) has the molecular formula C18H18ClN5OS and a molecular weight of 387.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide
PubChem CID16584144
Molecular FormulaC18H18ClN5OS
Molecular Weight387.90 g/mol
Exact Mass387.09
IUPAC NameN-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide
SMILESCc1nc(Nc2nc(C)c(C(=O)Nc3cccc(Cl)c3)c(C)n2)sc1C
InChIInChI=1S/C18H18ClN5OS/c1-9-12(4)26-18(22-9)24-17-20-10(2)15(11(3)21-17)16(25)23-14-7-5-6-13(19)8-14/h5-8H,1-4H3,(H,23,25)(H,20,21,22,24)
InChIKeyTWIMTJWCWLLDSZ-UHFFFAOYSA-N
XLogP4.82
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide
CID 16584145
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
6-N-(3-chlorophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19148355
N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468182
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
2-[(4-bromobenzoyl)amino]-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468187
N-(3-chlorophenyl)-2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 1468197
N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468179
N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide
CID 110858888
1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 1185920
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
N-(3-chlorophenyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109336543

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide (CID 16584144) is N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide is Cc1nc(Nc2nc(C)c(C(=O)Nc3cccc(Cl)c3)c(C)n2)sc1C.
What is the InChIKey of N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide?
The InChIKey is TWIMTJWCWLLDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5OS/c1-9-12(4)26-18(22-9)24-17-20-10(2)15(11(3)21-17)16(25)23-14-7-5-6-13(19)8-14/h5-8H,1-4H3,(H,23,25)(H,20,21,22,24).
What are the key properties of N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide?
N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide has a molecular weight of 387.90 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 16584144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).