3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide

C18H16N6O3S — CID 167850294

IUPAC3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)ccc2c1=O
InChIInChI=1S/C18H16N6O3S/c1-3-24-16(26)12-5-4-10(6-13(12)21-18(24)27)15(25)22-17-20-14(9-28-17)11-7-19-23(2)8-11/h4-9H,3H2,1-2H3,(H,21,27)(H,20,22,25)
InChIKeyIABCKKDNKGMALY-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.82
Rot. Bonds4

About 3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide

3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 167850294) has the molecular formula C18H16N6O3S and a molecular weight of 396.43 g/mol. Its IUPAC name is 3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID167850294
Molecular FormulaC18H16N6O3S
Molecular Weight396.43 g/mol
Exact Mass396.10
IUPAC Name3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)ccc2c1=O
InChIInChI=1S/C18H16N6O3S/c1-3-24-16(26)12-5-4-10(6-13(12)21-18(24)27)15(25)22-17-20-14(9-28-17)11-7-19-23(2)8-11/h4-9H,3H2,1-2H3,(H,21,27)(H,20,22,25)
InChIKeyIABCKKDNKGMALY-UHFFFAOYSA-N
XLogP1.82
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 47049455
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 52659842
3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 52659812
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
4-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 46978140
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 136580955
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 17493085
3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide
CID 94132682
2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide
CID 138106852
1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 24568371
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
3-ethyl-2,4-dioxo-N-(4-piperidin-1-ylphenyl)-1H-quinazoline-7-carboxamide
CID 55810948

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 167850294) is 3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)Nc3nc(-c4cnn(C)c4)cs3)ccc2c1=O.
What is the InChIKey of 3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is IABCKKDNKGMALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S/c1-3-24-16(26)12-5-4-10(6-13(12)21-18(24)27)15(25)22-17-20-14(9-28-17)11-7-19-23(2)8-11/h4-9H,3H2,1-2H3,(H,21,27)(H,20,22,25).
What are the key properties of 3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 167850294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).