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

C11H17N3OS — CID 66008151

IUPAC3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1csc(CNC(=O)C2CCC(N)C2)n1
InChIInChI=1S/C11H17N3OS/c1-7-6-16-10(14-7)5-13-11(15)8-2-3-9(12)4-8/h6,8-9H,2-5,12H2,1H3,(H,13,15)
InChIKeyIIDIZNYXIFWHDA-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.20
Rot. Bonds3

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

3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 66008151) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
PubChem CID66008151
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1csc(CNC(=O)C2CCC(N)C2)n1
InChIInChI=1S/C11H17N3OS/c1-7-6-16-10(14-7)5-13-11(15)8-2-3-9(12)4-8/h6,8-9H,2-5,12H2,1H3,(H,13,15)
InChIKeyIIDIZNYXIFWHDA-UHFFFAOYSA-N
XLogP1.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide (CID 66008151) is 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide is Cc1csc(CNC(=O)C2CCC(N)C2)n1.
What is the InChIKey of 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is IIDIZNYXIFWHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-6-16-10(14-7)5-13-11(15)8-2-3-9(12)4-8/h6,8-9H,2-5,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide?
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 66008151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).