2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide

C18H19N5O3S — CID 138106852

IUPAC2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide
SMILESCCCn1c(=O)[nH]c2cc(C(=O)Nc3nc4c(s3)CNCC4)ccc2c1=O
InChIInChI=1S/C18H19N5O3S/c1-2-7-23-16(25)11-4-3-10(8-13(11)21-18(23)26)15(24)22-17-20-12-5-6-19-9-14(12)27-17/h3-4,8,19H,2,5-7,9H2,1H3,(H,21,26)(H,20,22,24)
InChIKeyHVVRXRPMHGJXSQ-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.45
Rot. Bonds4

About 2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide

2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide (PubChem CID 138106852) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide
PubChem CID138106852
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide
SMILESCCCn1c(=O)[nH]c2cc(C(=O)Nc3nc4c(s3)CNCC4)ccc2c1=O
InChIInChI=1S/C18H19N5O3S/c1-2-7-23-16(25)11-4-3-10(8-13(11)21-18(23)26)15(24)22-17-20-12-5-6-19-9-14(12)27-17/h3-4,8,19H,2,5-7,9H2,1H3,(H,21,26)(H,20,22,24)
InChIKeyHVVRXRPMHGJXSQ-UHFFFAOYSA-N
XLogP1.45
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide with MolForge

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Related Compounds

3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 52659812
3-bromo-4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 61033825
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 47049455
3-ethyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 167850294
4-nitro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593216
2,5-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide
CID 66128632
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide
CID 102922199
2-ethyl-6-fluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 167759087
2-ethoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593369
2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide
CID 43593297
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 52659842
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55992153

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide?
The IUPAC name of 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) is 2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide?
The canonical SMILES for 2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide is CCCn1c(=O)[nH]c2cc(C(=O)Nc3nc4c(s3)CNCC4)ccc2c1=O.
What is the InChIKey of 2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide?
The InChIKey is HVVRXRPMHGJXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-2-7-23-16(25)11-4-3-10(8-13(11)21-18(23)26)15(24)22-17-20-12-5-6-19-9-14(12)27-17/h3-4,8,19H,2,5-7,9H2,1H3,(H,21,26)(H,20,22,24).
What are the key properties of 2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide?
2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 138106852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).