N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide

C15H13N3OS2 — CID 5310012

IUPACN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1cccs1
InChIInChI=1S/C15H13N3OS2/c19-14(13-4-2-8-20-13)17-7-5-12-10-21-15(18-12)11-3-1-6-16-9-11/h1-4,6,8-10H,5,7H2,(H,17,19)
InChIKeySQDCABSRWBRCQG-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.24
Rot. Bonds5

About N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide

N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 5310012) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
PubChem CID5310012
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1cccs1
InChIInChI=1S/C15H13N3OS2/c19-14(13-4-2-8-20-13)17-7-5-12-10-21-15(18-12)11-3-1-6-16-9-11/h1-4,6,8-10H,5,7H2,(H,17,19)
InChIKeySQDCABSRWBRCQG-UHFFFAOYSA-N
XLogP3.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide (CID 5310012) is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide is O=C(NCCc1csc(-c2cccnc2)n1)c1cccs1.
What is the InChIKey of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is SQDCABSRWBRCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c19-14(13-4-2-8-20-13)17-7-5-12-10-21-15(18-12)11-3-1-6-16-9-11/h1-4,6,8-10H,5,7H2,(H,17,19).
What are the key properties of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide?
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 5310012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).