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

C15H15N5O3S — CID 97116777

IUPACN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(-c2ncc(C(=O)N(C)[C@@H](C)c3ccon3)c(=O)[nH]2)cs1
InChIInChI=1S/C15H15N5O3S/c1-8(11-4-5-23-19-11)20(3)15(22)10-6-16-13(18-14(10)21)12-7-24-9(2)17-12/h4-8H,1-3H3,(H,16,18,21)/t8-/m0/s1
InChIKeyNGTVLZKQTITDPG-QMMMGPOBSA-N
MW345.38 g/mol
LogP2.02
Rot. Bonds4

About 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

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 (PubChem CID 97116777) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID97116777
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(-c2ncc(C(=O)N(C)[C@@H](C)c3ccon3)c(=O)[nH]2)cs1
InChIInChI=1S/C15H15N5O3S/c1-8(11-4-5-23-19-11)20(3)15(22)10-6-16-13(18-14(10)21)12-7-24-9(2)17-12/h4-8H,1-3H3,(H,16,18,21)/t8-/m0/s1
InChIKeyNGTVLZKQTITDPG-QMMMGPOBSA-N
XLogP2.02
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide
CID 97153313
N,N-dimethyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72891553
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72915421
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72873127
N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 97116459
2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide
CID 90384979
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97122025
N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97209998
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72898651
2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97137147
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72912876
2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108809636

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(-c2ncc(C(=O)N(C)[C@@H](C)c3ccon3)c(=O)[nH]2)cs1.
What is the InChIKey of 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?
The InChIKey is NGTVLZKQTITDPG-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-8(11-4-5-23-19-11)20(3)15(22)10-6-16-13(18-14(10)21)12-7-24-9(2)17-12/h4-8H,1-3H3,(H,16,18,21)/t8-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 345.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 97116777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).