2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile

C11H15N3S — CID 104770271

IUPAC2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
SMILESCc1csc(C(C#N)NC2CCCC2)n1
InChIInChI=1S/C11H15N3S/c1-8-7-15-11(13-8)10(6-12)14-9-4-2-3-5-9/h7,9-10,14H,2-5H2,1H3
InChIKeyFEZAWLQWVWNXTJ-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.55
Rot. Bonds3

About 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile

2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile (PubChem CID 104770271) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
PubChem CID104770271
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
SMILESCc1csc(C(C#N)NC2CCCC2)n1
InChIInChI=1S/C11H15N3S/c1-8-7-15-11(13-8)10(6-12)14-9-4-2-3-5-9/h7,9-10,14H,2-5H2,1H3
InChIKeyFEZAWLQWVWNXTJ-UHFFFAOYSA-N
XLogP2.55
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
The IUPAC name of 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile (CID 104770271) is 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
The canonical SMILES for 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile is Cc1csc(C(C#N)NC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
The InChIKey is FEZAWLQWVWNXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8-7-15-11(13-8)10(6-12)14-9-4-2-3-5-9/h7,9-10,14H,2-5H2,1H3.
What are the key properties of 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile has a molecular weight of 221.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile is sourced from PubChem (CID 104770271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).