5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C16H10ClN5OS2 — CID 11538301

IUPAC5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESNc1nccc(-c2ccc(C(=O)Nc3nc4c(Cl)cccc4s3)s2)n1
InChIInChI=1S/C16H10ClN5OS2/c17-8-2-1-3-11-13(8)21-16(25-11)22-14(23)12-5-4-10(24-12)9-6-7-19-15(18)20-9/h1-7H,(H2,18,19,20)(H,21,22,23)
InChIKeyXMGDTDAXGWPTSR-UHFFFAOYSA-N
MW387.88 g/mol
LogP4.30
Rot. Bonds3

About 5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 11538301) has the molecular formula C16H10ClN5OS2 and a molecular weight of 387.88 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID11538301
Molecular FormulaC16H10ClN5OS2
Molecular Weight387.88 g/mol
Exact Mass387.00
IUPAC Name5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESNc1nccc(-c2ccc(C(=O)Nc3nc4c(Cl)cccc4s3)s2)n1
InChIInChI=1S/C16H10ClN5OS2/c17-8-2-1-3-11-13(8)21-16(25-11)22-14(23)12-5-4-10(24-12)9-6-7-19-15(18)20-9/h1-7H,(H2,18,19,20)(H,21,22,23)
InChIKeyXMGDTDAXGWPTSR-UHFFFAOYSA-N
XLogP4.30
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.88
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 11538301) is 5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is Nc1nccc(-c2ccc(C(=O)Nc3nc4c(Cl)cccc4s3)s2)n1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is XMGDTDAXGWPTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5OS2/c17-8-2-1-3-11-13(8)21-16(25-11)22-14(23)12-5-4-10(24-12)9-6-7-19-15(18)20-9/h1-7H,(H2,18,19,20)(H,21,22,23).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 387.88 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 11538301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).