4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile

C11H15N3S — CID 82427633

IUPAC4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile
SMILESCc1nc(CCN2CCCC2)sc1C#N
InChIInChI=1S/C11H15N3S/c1-9-10(8-12)15-11(13-9)4-7-14-5-2-3-6-14/h2-7H2,1H3
InChIKeyRSJKJQUVWUUMBY-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.96
Rot. Bonds3

About 4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile

4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile (PubChem CID 82427633) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile
PubChem CID82427633
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile
SMILESCc1nc(CCN2CCCC2)sc1C#N
InChIInChI=1S/C11H15N3S/c1-9-10(8-12)15-11(13-9)4-7-14-5-2-3-6-14/h2-7H2,1H3
InChIKeyRSJKJQUVWUUMBY-UHFFFAOYSA-N
XLogP1.96
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(azepan-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carbonitrile
CID 82427753
2-(azepan-1-ylmethyl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 82427769
2-[2-(azepan-1-yl)ethyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435508
4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437863
4-tert-butyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82439578
4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437848
2-[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82054979
2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile
CID 82515352
2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427637
2-[2-(azepan-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82425098
N-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386499
4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82426776

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile (CID 82427633) is 4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile is Cc1nc(CCN2CCCC2)sc1C#N.
What is the InChIKey of 4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is RSJKJQUVWUUMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-9-10(8-12)15-11(13-9)4-7-14-5-2-3-6-14/h2-7H2,1H3.
What are the key properties of 4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile?
4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 221.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82427633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).