N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide

C11H11N3OS — CID 63037034

IUPACN-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1cscn1)c1ccccn1
InChIInChI=1S/C11H11N3OS/c1-8(9-4-2-3-5-12-9)14-11(15)10-6-16-7-13-10/h2-8H,1H3,(H,14,15)
InChIKeyNEJCERJQJFQVRF-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.03
Rot. Bonds3

About N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide

N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 63037034) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID63037034
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1cscn1)c1ccccn1
InChIInChI=1S/C11H11N3OS/c1-8(9-4-2-3-5-12-9)14-11(15)10-6-16-7-13-10/h2-8H,1H3,(H,14,15)
InChIKeyNEJCERJQJFQVRF-UHFFFAOYSA-N
XLogP2.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037033
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
4-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62241386
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
5-amino-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 81315746
N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide
CID 35940231
N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide
CID 25343199
2-(2-aminoethyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 66389625
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63049931
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 62241752
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide (CID 63037034) is N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide is CC(NC(=O)c1cscn1)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NEJCERJQJFQVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8(9-4-2-3-5-12-9)14-11(15)10-6-16-7-13-10/h2-8H,1H3,(H,14,15).
What are the key properties of N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63037034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).