2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide

C13H21N3OS — CID 112702848

IUPAC2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
SMILESCc1cnc(C(C)NC(=O)C2CCCC2CN)s1
InChIInChI=1S/C13H21N3OS/c1-8-7-15-13(18-8)9(2)16-12(17)11-5-3-4-10(11)6-14/h7,9-11H,3-6,14H2,1-2H3,(H,16,17)
InChIKeyHPHDCQAKEAOKJX-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.00
Rot. Bonds4

About 2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide

2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 112702848) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID112702848
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
SMILESCc1cnc(C(C)NC(=O)C2CCCC2CN)s1
InChIInChI=1S/C13H21N3OS/c1-8-7-15-13(18-8)9(2)16-12(17)11-5-3-4-10(11)6-14/h7,9-11H,3-6,14H2,1-2H3,(H,16,17)
InChIKeyHPHDCQAKEAOKJX-UHFFFAOYSA-N
XLogP2.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide (CID 112702848) is 2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide is Cc1cnc(C(C)NC(=O)C2CCCC2CN)s1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is HPHDCQAKEAOKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8-7-15-13(18-8)9(2)16-12(17)11-5-3-4-10(11)6-14/h7,9-11H,3-6,14H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide?
2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 112702848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).