4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide

C13H11N5OS2 — CID 59199867

IUPAC4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(N)=O)c(Nc2ccc3scnc3c2)n1
InChIInChI=1S/C13H11N5OS2/c1-20-13-15-5-8(11(14)19)12(18-13)17-7-2-3-10-9(4-7)16-6-21-10/h2-6H,1H3,(H2,14,19)(H,15,17,18)
InChIKeyAUGGAVJRMMKEDI-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.65
Rot. Bonds4

About 4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide

4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 59199867) has the molecular formula C13H11N5OS2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID59199867
Molecular FormulaC13H11N5OS2
Molecular Weight317.40 g/mol
Exact Mass317.04
IUPAC Name4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(N)=O)c(Nc2ccc3scnc3c2)n1
InChIInChI=1S/C13H11N5OS2/c1-20-13-15-5-8(11(14)19)12(18-13)17-7-2-3-10-9(4-7)16-6-21-10/h2-6H,1H3,(H2,14,19)(H,15,17,18)
InChIKeyAUGGAVJRMMKEDI-UHFFFAOYSA-N
XLogP2.65
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-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

6-[amino(4-oxobutan-2-yl)amino]-2-(1,3-benzothiazol-5-ylamino)pyridine-3-carboxamide
CID 123490683
[4-(1,3-benzothiazol-5-ylamino)-5-carbamoylpyrimidin-2-yl]-[3,3-difluoro-2-(methylamino)cyclohexyl]-dimethylazanium
CID 123330099
2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-(1,3-benzothiazol-6-ylamino)pyrimidine-5-carboxamide
CID 67003038
4-[3-(2-iminoethyldiazenyl)anilino]-2-methylsulfanylpyrimidine-5-carboxamide
CID 123511231
3-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-(1,3-benzothiazol-5-ylamino)-1,2,4-triazine-6-carboxamide
CID 140627277
ethane;ethyl 4-(3-methylanilino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 144591369
4-anilino-2-methylsulfanylpyrimidine-5-carboxylic acid;hydrofluoride
CID 70926607
2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide
CID 107800531
4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 86065477
[3-[(5-acetyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl]carbamic acid
CID 90373764
2-methyl-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 67477026
N-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 91453117

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide (CID 59199867) is 4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(N)=O)c(Nc2ccc3scnc3c2)n1.
What is the InChIKey of 4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is AUGGAVJRMMKEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS2/c1-20-13-15-5-8(11(14)19)12(18-13)17-7-2-3-10-9(4-7)16-6-21-10/h2-6H,1H3,(H2,14,19)(H,15,17,18).
What are the key properties of 4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide?
4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 59199867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).