N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide

C14H23N3OS — CID 82342659

IUPACN-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide
SMILESCCCCC(=O)Nc1nc(C2CCCCC2)c(N)s1
InChIInChI=1S/C14H23N3OS/c1-2-3-9-11(18)16-14-17-12(13(15)19-14)10-7-5-4-6-8-10/h10H,2-9,15H2,1H3,(H,16,17,18)
InChIKeyYHKYSSCPIBTRAG-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.90
Rot. Bonds5

About N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide

N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide (PubChem CID 82342659) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide
PubChem CID82342659
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide
SMILESCCCCC(=O)Nc1nc(C2CCCCC2)c(N)s1
InChIInChI=1S/C14H23N3OS/c1-2-3-9-11(18)16-14-17-12(13(15)19-14)10-7-5-4-6-8-10/h10H,2-9,15H2,1H3,(H,16,17,18)
InChIKeyYHKYSSCPIBTRAG-UHFFFAOYSA-N
XLogP3.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide (CID 82342659) is N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide is CCCCC(=O)Nc1nc(C2CCCCC2)c(N)s1.
What is the InChIKey of N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is YHKYSSCPIBTRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-2-3-9-11(18)16-14-17-12(13(15)19-14)10-7-5-4-6-8-10/h10H,2-9,15H2,1H3,(H,16,17,18).
What are the key properties of N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide?
N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 281.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 82342659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).