7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

C15H13N3O2S2 — CID 50761641

IUPAC7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
SMILESC=CCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1cc(C)ccc12
InChIInChI=1S/C15H13N3O2S2/c1-3-6-16-14(20)11-12-17-13(19)9-7-8(2)4-5-10(9)18(12)15(21)22-11/h3-5,7H,1,6H2,2H3,(H,16,20)(H,17,19)
InChIKeyFCUBTBIJDAHFIZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.80
Rot. Bonds3

About 7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide (PubChem CID 50761641) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide.

Molecular Properties

Compound Name7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
PubChem CID50761641
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC Name7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
SMILESC=CCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1cc(C)ccc12
InChIInChI=1S/C15H13N3O2S2/c1-3-6-16-14(20)11-12-17-13(19)9-7-8(2)4-5-10(9)18(12)15(21)22-11/h3-5,7H,1,6H2,2H3,(H,16,20)(H,17,19)
InChIKeyFCUBTBIJDAHFIZ-UHFFFAOYSA-N
XLogP2.80
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
CID 3648514
7-methyl-3-(pyrrolidine-1-carbonyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazolin-5-one
CID 50761996
7-bromo-N-[(2-methoxyphenyl)methyl]-5-oxo-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
CID 50761634
8-chloro-5-oxo-N-phenyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
CID 50760511
methyl 3-(acetamidocarbamoyl)-5-oxo-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
CID 53337442
5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
CID 78859111
3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide
CID 9399962
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 4622826
5-methyl-N-prop-2-enylthiophene-2-carboxamide
CID 60636458
2-(5-methylindol-1-yl)-N-prop-2-enylacetamide
CID 116623020
3-N-cyclopentyl-8-N-[(2-methoxyphenyl)methyl]-5-oxo-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
CID 3664420

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide?
The IUPAC name of 7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide (CID 50761641) is 7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide.
What is the SMILES notation for 7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide?
The canonical SMILES for 7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide is C=CCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1cc(C)ccc12.
What is the InChIKey of 7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide?
The InChIKey is FCUBTBIJDAHFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-3-6-16-14(20)11-12-17-13(19)9-7-8(2)4-5-10(9)18(12)15(21)22-11/h3-5,7H,1,6H2,2H3,(H,16,20)(H,17,19).
What are the key properties of 7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide?
7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-oxo-N-prop-2-enyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide is sourced from PubChem (CID 50761641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).