N-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide

C18H30N4O2S — CID 11581423

IUPACN-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide
SMILESNCCCCCNC(=O)Cc1csc(NC(=O)CC2CCCCC2)n1
InChIInChI=1S/C18H30N4O2S/c19-9-5-2-6-10-20-16(23)12-15-13-25-18(21-15)22-17(24)11-14-7-3-1-4-8-14/h13-14H,1-12,19H2,(H,20,23)(H,21,22,24)
InChIKeyFHFXUTBBCKBTCW-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.84
Rot. Bonds10

About N-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide

N-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide (PubChem CID 11581423) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide
PubChem CID11581423
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC NameN-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide
SMILESNCCCCCNC(=O)Cc1csc(NC(=O)CC2CCCCC2)n1
InChIInChI=1S/C18H30N4O2S/c19-9-5-2-6-10-20-16(23)12-15-13-25-18(21-15)22-17(24)11-14-7-3-1-4-8-14/h13-14H,1-12,19H2,(H,20,23)(H,21,22,24)
InChIKeyFHFXUTBBCKBTCW-UHFFFAOYSA-N
XLogP2.84
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide?
The IUPAC name of N-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide (CID 11581423) is N-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide?
The canonical SMILES for N-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide is NCCCCCNC(=O)Cc1csc(NC(=O)CC2CCCCC2)n1.
What is the InChIKey of N-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide?
The InChIKey is FHFXUTBBCKBTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c19-9-5-2-6-10-20-16(23)12-15-13-25-18(21-15)22-17(24)11-14-7-3-1-4-8-14/h13-14H,1-12,19H2,(H,20,23)(H,21,22,24).
What are the key properties of N-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide?
N-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide has a molecular weight of 366.53 g/mol, XLogP of 2.84, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-aminopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-cyclohexylacetamide is sourced from PubChem (CID 11581423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).