N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide

C18H18N4O2S — CID 97116459

IUPACN-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N(C)[C@H](C)c3nccs3)c(=O)[nH]2)cc1
InChIInChI=1S/C18H18N4O2S/c1-11-4-6-13(7-5-11)15-20-10-14(16(23)21-15)18(24)22(3)12(2)17-19-8-9-25-17/h4-10,12H,1-3H3,(H,20,21,23)/t12-/m1/s1
InChIKeyNNPDTJRJYHWAFH-GFCCVEGCSA-N
MW354.44 g/mol
LogP3.04
Rot. Bonds4

About N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide

N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide (PubChem CID 97116459) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide
PubChem CID97116459
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N(C)[C@H](C)c3nccs3)c(=O)[nH]2)cc1
InChIInChI=1S/C18H18N4O2S/c1-11-4-6-13(7-5-11)15-20-10-14(16(23)21-15)18(24)22(3)12(2)17-19-8-9-25-17/h4-10,12H,1-3H3,(H,20,21,23)/t12-/m1/s1
InChIKeyNNPDTJRJYHWAFH-GFCCVEGCSA-N
XLogP3.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide
CID 70715770
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide
CID 97153313
5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 95128802
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97116777
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-N-methyl-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 97133707
N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide
CID 70711569
N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70718296
(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 96555462
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70745592
3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 99995878
N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 50968047
N-methyl-9-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 50948141

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide (CID 97116459) is N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide is Cc1ccc(-c2ncc(C(=O)N(C)[C@H](C)c3nccs3)c(=O)[nH]2)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is NNPDTJRJYHWAFH-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-4-6-13(7-5-11)15-20-10-14(16(23)21-15)18(24)22(3)12(2)17-19-8-9-25-17/h4-10,12H,1-3H3,(H,20,21,23)/t12-/m1/s1.
What are the key properties of N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide?
N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97116459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).