1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride

C17H22ClN3OS — CID 119316972

IUPAC1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C17H21N3OS.ClH/c1-12-14(11-19-16(21)17(18)9-5-6-10-17)22-15(20-12)13-7-3-2-4-8-13;/h2-4,7-8H,5-6,9-11,18H2,1H3,(H,19,21);1H
InChIKeyXUGFKGKHUHVKTB-UHFFFAOYSA-N
MW351.90 g/mol
LogP3.43
Rot. Bonds4

About 1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119316972) has the molecular formula C17H22ClN3OS and a molecular weight of 351.90 g/mol. Its IUPAC name is 1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119316972
Molecular FormulaC17H22ClN3OS
Molecular Weight351.90 g/mol
Exact Mass351.12
IUPAC Name1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C17H21N3OS.ClH/c1-12-14(11-19-16(21)17(18)9-5-6-10-17)22-15(20-12)13-7-3-2-4-8-13;/h2-4,7-8H,5-6,9-11,18H2,1H3,(H,19,21);1H
InChIKeyXUGFKGKHUHVKTB-UHFFFAOYSA-N
XLogP3.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119316972) is 1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cc1nc(-c2ccccc2)sc1CNC(=O)C1(N)CCCC1.Cl.
What is the InChIKey of 1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is XUGFKGKHUHVKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS.ClH/c1-12-14(11-19-16(21)17(18)9-5-6-10-17)22-15(20-12)13-7-3-2-4-8-13;/h2-4,7-8H,5-6,9-11,18H2,1H3,(H,19,21);1H.
What are the key properties of 1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 351.90 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119316972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).