N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide

C16H13N5OS2 — CID 71802177

IUPACN-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCc1csc(-n2cccn2)n1)c1ccc2ncsc2c1
InChIInChI=1S/C16H13N5OS2/c22-15(11-2-3-13-14(8-11)24-10-18-13)17-6-4-12-9-23-16(20-12)21-7-1-5-19-21/h1-3,5,7-10H,4,6H2,(H,17,22)
InChIKeyZMSOKOJMJWPWLR-UHFFFAOYSA-N
MW355.45 g/mol
LogP2.91
Rot. Bonds5

About N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide

N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 71802177) has the molecular formula C16H13N5OS2 and a molecular weight of 355.45 g/mol. Its IUPAC name is N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide
PubChem CID71802177
Molecular FormulaC16H13N5OS2
Molecular Weight355.45 g/mol
Exact Mass355.06
IUPAC NameN-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCc1csc(-n2cccn2)n1)c1ccc2ncsc2c1
InChIInChI=1S/C16H13N5OS2/c22-15(11-2-3-13-14(8-11)24-10-18-13)17-6-4-12-9-23-16(20-12)21-7-1-5-19-21/h1-3,5,7-10H,4,6H2,(H,17,22)
InChIKeyZMSOKOJMJWPWLR-UHFFFAOYSA-N
XLogP2.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide (CID 71802177) is N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide is O=C(NCCc1csc(-n2cccn2)n1)c1ccc2ncsc2c1.
What is the InChIKey of N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is ZMSOKOJMJWPWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS2/c22-15(11-2-3-13-14(8-11)24-10-18-13)17-6-4-12-9-23-16(20-12)21-7-1-5-19-21/h1-3,5,7-10H,4,6H2,(H,17,22).
What are the key properties of N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 71802177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).