3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide

C16H16N4O2S2 — CID 4613857

IUPAC3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)c2sc3[nH]c(=S)n(N)c(=O)c3c2C)c(C)c1
InChIInChI=1S/C16H16N4O2S2/c1-7-4-5-10(8(2)6-7)18-13(21)12-9(3)11-14(24-12)19-16(23)20(17)15(11)22/h4-6H,17H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyVVVGKJXGJUJFHP-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.01
Rot. Bonds2

About 3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide

3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4613857) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4613857
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)c2sc3[nH]c(=S)n(N)c(=O)c3c2C)c(C)c1
InChIInChI=1S/C16H16N4O2S2/c1-7-4-5-10(8(2)6-7)18-13(21)12-9(3)11-14(24-12)19-16(23)20(17)15(11)22/h4-6H,17H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyVVVGKJXGJUJFHP-UHFFFAOYSA-N
XLogP3.01
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-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

N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28868202
3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 4613852
methyl 2-amino-5-[(2,4-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 694717
N-(2,4-dimethylphenyl)-5-methyl-2-[[(4-methylphenyl)methylamino]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 4801621
N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-(1,3-thiazol-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 60564162
N-(2,4-dimethylphenyl)-5-methyl-3-[1-(2-methylanilino)-1-oxopropan-2-yl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 4088480
2-[(2-carbamoylpyrrolidin-1-yl)methyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 112770352
2-[(2,4-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28868638
2-[(3,4-dimethoxyphenyl)methyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28889896
N-(2,4-dimethylphenyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 134062994
4-amino-N-(2,4-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668417
N-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28890117

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 4613857) is 3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(NC(=O)c2sc3[nH]c(=S)n(N)c(=O)c3c2C)c(C)c1.
What is the InChIKey of 3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VVVGKJXGJUJFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-7-4-5-10(8(2)6-7)18-13(21)12-9(3)11-14(24-12)19-16(23)20(17)15(11)22/h4-6H,17H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of 3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide?
3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4613857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).