N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide

C9H8N4O2S — CID 136666419

IUPACN-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cnc(NC(=O)c2cc(=O)[nH]cn2)s1
InChIInChI=1S/C9H8N4O2S/c1-5-3-10-9(16-5)13-8(15)6-2-7(14)12-4-11-6/h2-4H,1H3,(H,10,13,15)(H,11,12,14)
InChIKeyJHSKLQOJIFBOKB-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.79
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136666419) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136666419
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cnc(NC(=O)c2cc(=O)[nH]cn2)s1
InChIInChI=1S/C9H8N4O2S/c1-5-3-10-9(16-5)13-8(15)6-2-7(14)12-4-11-6/h2-4H,1H3,(H,10,13,15)(H,11,12,14)
InChIKeyJHSKLQOJIFBOKB-UHFFFAOYSA-N
XLogP0.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 75390612
2-acetamido-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 167587644
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 31939975
1-[[2-(Ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione
CID 79774180
5-Fluoro-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione
CID 79774273
2-[2-(dimethylamino)ethylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229632
2-[2-(diethylamino)ethylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3229638
2-(4-methyl-6-oxopyrimidin-1(6H)-yl)-N-(thiazol-2-yl)acetamide
CID 45496935
2-amino-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 24705766
N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 43616254
5-Bromo-1-methyl-3-(5-methylthiazol-2-ylamino)pyridin-2(1H)-one
CID 86683953
5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide
CID 90909060

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 136666419) is N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide is Cc1cnc(NC(=O)c2cc(=O)[nH]cn2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is JHSKLQOJIFBOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c1-5-3-10-9(16-5)13-8(15)6-2-7(14)12-4-11-6/h2-4H,1H3,(H,10,13,15)(H,11,12,14).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136666419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).