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

C16H11N5OS2 — CID 11660359

IUPAC5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESNc1nccc(-c2ccc(C(=O)Nc3nc4ccccc4s3)s2)n1
InChIInChI=1S/C16H11N5OS2/c17-15-18-8-7-10(19-15)12-5-6-13(23-12)14(22)21-16-20-9-3-1-2-4-11(9)24-16/h1-8H,(H2,17,18,19)(H,20,21,22)
InChIKeyNPTZTUDTQQZJDC-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.65
Rot. Bonds3

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

5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 11660359) has the molecular formula C16H11N5OS2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID11660359
Molecular FormulaC16H11N5OS2
Molecular Weight353.43 g/mol
Exact Mass353.04
IUPAC Name5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESNc1nccc(-c2ccc(C(=O)Nc3nc4ccccc4s3)s2)n1
InChIInChI=1S/C16H11N5OS2/c17-15-18-8-7-10(19-15)12-5-6-13(23-12)14(22)21-16-20-9-3-1-2-4-11(9)24-16/h1-8H,(H2,17,18,19)(H,20,21,22)
InChIKeyNPTZTUDTQQZJDC-UHFFFAOYSA-N
XLogP3.65
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 59857142
5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 11538301
N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5102836
5-(2-aminopyrimidin-4-yl)-N-[4-chloro-6-(hydroxymethyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 59857140
5-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]thiophene-2-carboxamide
CID 59849648
5-(2-aminopyrimidin-4-yl)-N-[4-chloro-6-(methylaminomethyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 59856978
5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5147677
2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 848501
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(5-chloro-1,3-benzothiazol-2-yl)-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 59857239
3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807877
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 11660359) is 5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide is Nc1nccc(-c2ccc(C(=O)Nc3nc4ccccc4s3)s2)n1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is NPTZTUDTQQZJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5OS2/c17-15-18-8-7-10(19-15)12-5-6-13(23-12)14(22)21-16-20-9-3-1-2-4-11(9)24-16/h1-8H,(H2,17,18,19)(H,20,21,22).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 3.65, 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-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 11660359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).