2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide

C15H18N4O2S — CID 154832427

IUPAC2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCCc1csc(C(C)NC(=O)c2cc(=O)[nH]c(C3CC3)n2)n1
InChIInChI=1S/C15H18N4O2S/c1-3-10-7-22-15(17-10)8(2)16-14(21)11-6-12(20)19-13(18-11)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,16,21)(H,18,19,20)
InChIKeyZVIBXKKLGDSOCZ-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.16
Rot. Bonds5

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

2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 154832427) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID154832427
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCCc1csc(C(C)NC(=O)c2cc(=O)[nH]c(C3CC3)n2)n1
InChIInChI=1S/C15H18N4O2S/c1-3-10-7-22-15(17-10)8(2)16-14(21)11-6-12(20)19-13(18-11)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,16,21)(H,18,19,20)
InChIKeyZVIBXKKLGDSOCZ-UHFFFAOYSA-N
XLogP2.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide
CID 136982709
2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 138005065
2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136982685
2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane
CID 144874221
2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide
CID 137126133
4-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide
CID 126827825
2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide
CID 167759812
2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 162615981
N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 146152825
2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154865335
2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 166481475
2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136976762

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 154832427) is 2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide is CCc1csc(C(C)NC(=O)c2cc(=O)[nH]c(C3CC3)n2)n1.
What is the InChIKey of 2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is ZVIBXKKLGDSOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-3-10-7-22-15(17-10)8(2)16-14(21)11-6-12(20)19-13(18-11)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,16,21)(H,18,19,20).
What are the key properties of 2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 154832427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).