1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride

C17H22ClN3OS — CID 119266965

IUPAC1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCCc2csc(-c3ccccc3)n2)CCCC1
InChIInChI=1S/C17H21N3OS.ClH/c18-17(9-4-5-10-17)16(21)19-11-8-14-12-22-15(20-14)13-6-2-1-3-7-13;/h1-3,6-7,12H,4-5,8-11,18H2,(H,19,21);1H
InChIKeyOGLAOLLZSOAFRX-UHFFFAOYSA-N
MW351.90 g/mol
LogP3.16
Rot. Bonds5

About 1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119266965) has the molecular formula C17H22ClN3OS and a molecular weight of 351.90 g/mol. Its IUPAC name is 1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119266965
Molecular FormulaC17H22ClN3OS
Molecular Weight351.90 g/mol
Exact Mass351.12
IUPAC Name1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCCc2csc(-c3ccccc3)n2)CCCC1
InChIInChI=1S/C17H21N3OS.ClH/c18-17(9-4-5-10-17)16(21)19-11-8-14-12-22-15(20-14)13-6-2-1-3-7-13;/h1-3,6-7,12H,4-5,8-11,18H2,(H,19,21);1H
InChIKeyOGLAOLLZSOAFRX-UHFFFAOYSA-N
XLogP3.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 111975161
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
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(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride (CID 119266965) is 1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCCc2csc(-c3ccccc3)n2)CCCC1.
What is the InChIKey of 1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is OGLAOLLZSOAFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS.ClH/c18-17(9-4-5-10-17)16(21)19-11-8-14-12-22-15(20-14)13-6-2-1-3-7-13;/h1-3,6-7,12H,4-5,8-11,18H2,(H,19,21);1H.
What are the key properties of 1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 351.90 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119266965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).