2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile

C10H13N3S — CID 82515352

IUPAC2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(CCN2CCCC2)n1
InChIInChI=1S/C10H13N3S/c11-7-9-8-14-10(12-9)3-6-13-4-1-2-5-13/h8H,1-6H2
InChIKeyAGPDQNOJRMTYRF-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.65
Rot. Bonds3

About 2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile

2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile (PubChem CID 82515352) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile
PubChem CID82515352
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(CCN2CCCC2)n1
InChIInChI=1S/C10H13N3S/c11-7-9-8-14-10(12-9)3-6-13-4-1-2-5-13/h8H,1-6H2
InChIKeyAGPDQNOJRMTYRF-UHFFFAOYSA-N
XLogP1.65
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]acetonitrile
CID 82515340
N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine
CID 82193993
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515335
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515336
4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile
CID 82427633
2-[2-(azepan-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82425098
2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115089632
2-[2-(azepan-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carbonitrile
CID 82427753
2-[2-(azepan-1-yl)ethyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435508
2-[2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetonitrile
CID 82515282
2-[3-(azocan-1-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 43320490
2-[2-[2-(azepan-1-yl)ethyl]-1,3-thiazol-5-yl]acetonitrile
CID 82425110

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile (CID 82515352) is 2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile is N#Cc1csc(CCN2CCCC2)n1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile?
The InChIKey is AGPDQNOJRMTYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c11-7-9-8-14-10(12-9)3-6-13-4-1-2-5-13/h8H,1-6H2.
What are the key properties of 2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile?
2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile has a molecular weight of 207.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 82515352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).