2-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-chloro-1,3-thiazole-5-carbonitrile

C11H15ClN4S — CID 106596060

IUPAC2-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-chloro-1,3-thiazole-5-carbonitrile
SMILESCN(c1nc(Cl)c(C#N)s1)C1CCCC1CN
InChIInChI=1S/C11H15ClN4S/c1-16(8-4-2-3-7(8)5-13)11-15-10(12)9(6-14)17-11/h7-8H,2-5,13H2,1H3
InChIKeyYOLYJDAVXNUNMU-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.23
Rot. Bonds3

About 2-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-chloro-1,3-thiazole-5-carbonitrile

2-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-chloro-1,3-thiazole-5-carbonitrile (PubChem CID 106596060) has the molecular formula C11H15ClN4S and a molecular weight of 270.79 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-chloro-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-chloro-1,3-thiazole-5-carbonitrile
PubChem CID106596060
Molecular FormulaC11H15ClN4S
Molecular Weight270.79 g/mol
Exact Mass270.07
IUPAC Name2-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-chloro-1,3-thiazole-5-carbonitrile
SMILESCN(c1nc(Cl)c(C#N)s1)C1CCCC1CN
InChIInChI=1S/C11H15ClN4S/c1-16(8-4-2-3-7(8)5-13)11-15-10(12)9(6-14)17-11/h7-8H,2-5,13H2,1H3
InChIKeyYOLYJDAVXNUNMU-UHFFFAOYSA-N
XLogP2.23
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-chloro-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-chloro-1,3-thiazole-5-carbonitrile (CID 106596060) is 2-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-chloro-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-chloro-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-chloro-1,3-thiazole-5-carbonitrile is CN(c1nc(Cl)c(C#N)s1)C1CCCC1CN.
What is the InChIKey of 2-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-chloro-1,3-thiazole-5-carbonitrile?
The InChIKey is YOLYJDAVXNUNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4S/c1-16(8-4-2-3-7(8)5-13)11-15-10(12)9(6-14)17-11/h7-8H,2-5,13H2,1H3.
What are the key properties of 2-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-chloro-1,3-thiazole-5-carbonitrile?
2-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-chloro-1,3-thiazole-5-carbonitrile has a molecular weight of 270.79 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-chloro-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106596060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).