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

C16H26N4OS — CID 175454280

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide
SMILESNc1ncc(CN2CCCC(C(=O)NC3CCCCC3)C2)s1
InChIInChI=1S/C16H26N4OS/c17-16-18-9-14(22-16)11-20-8-4-5-12(10-20)15(21)19-13-6-2-1-3-7-13/h9,12-13H,1-8,10-11H2,(H2,17,18)(H,19,21)
InChIKeyZIPJEAIVDAOREY-UHFFFAOYSA-N
MW322.48 g/mol
LogP2.39
Rot. Bonds4

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

1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide (PubChem CID 175454280) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide
PubChem CID175454280
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide
SMILESNc1ncc(CN2CCCC(C(=O)NC3CCCCC3)C2)s1
InChIInChI=1S/C16H26N4OS/c17-16-18-9-14(22-16)11-20-8-4-5-12(10-20)15(21)19-13-6-2-1-3-7-13/h9,12-13H,1-8,10-11H2,(H2,17,18)(H,19,21)
InChIKeyZIPJEAIVDAOREY-UHFFFAOYSA-N
XLogP2.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide (CID 175454280) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide is Nc1ncc(CN2CCCC(C(=O)NC3CCCCC3)C2)s1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide?
The InChIKey is ZIPJEAIVDAOREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c17-16-18-9-14(22-16)11-20-8-4-5-12(10-20)15(21)19-13-6-2-1-3-7-13/h9,12-13H,1-8,10-11H2,(H2,17,18)(H,19,21).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide is sourced from PubChem (CID 175454280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).