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

C12H19N3OS — CID 54872550

IUPAC1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1ncc(CN(C)C(=O)C2(N)CCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-9-14-7-10(17-9)8-15(2)11(16)12(13)5-3-4-6-12/h7H,3-6,8,13H2,1-2H3
InChIKeyBTSPXYNDFKFYAW-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.68
Rot. Bonds3

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

1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 54872550) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide
PubChem CID54872550
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1ncc(CN(C)C(=O)C2(N)CCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-9-14-7-10(17-9)8-15(2)11(16)12(13)5-3-4-6-12/h7H,3-6,8,13H2,1-2H3
InChIKeyBTSPXYNDFKFYAW-UHFFFAOYSA-N
XLogP1.68
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide (CID 54872550) is 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide is Cc1ncc(CN(C)C(=O)C2(N)CCCC2)s1.
What is the InChIKey of 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is BTSPXYNDFKFYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-14-7-10(17-9)8-15(2)11(16)12(13)5-3-4-6-12/h7H,3-6,8,13H2,1-2H3.
What are the key properties of 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide?
1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 54872550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).