6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide

C18H30N4O2S — CID 11501508

IUPAC6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide
SMILESNCCCCCC(=O)Nc1nc(CC(=O)NCC2CCCCC2)cs1
InChIInChI=1S/C18H30N4O2S/c19-10-6-2-5-9-16(23)22-18-21-15(13-25-18)11-17(24)20-12-14-7-3-1-4-8-14/h13-14H,1-12,19H2,(H,20,24)(H,21,22,23)
InChIKeyBIHNFGQFGGNTSD-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.84
Rot. Bonds10

About 6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide

6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide (PubChem CID 11501508) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide
PubChem CID11501508
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide
SMILESNCCCCCC(=O)Nc1nc(CC(=O)NCC2CCCCC2)cs1
InChIInChI=1S/C18H30N4O2S/c19-10-6-2-5-9-16(23)22-18-21-15(13-25-18)11-17(24)20-12-14-7-3-1-4-8-14/h13-14H,1-12,19H2,(H,20,24)(H,21,22,23)
InChIKeyBIHNFGQFGGNTSD-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 6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide?
The IUPAC name of 6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide (CID 11501508) is 6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide.
What is the SMILES notation for 6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide?
The canonical SMILES for 6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide is NCCCCCC(=O)Nc1nc(CC(=O)NCC2CCCCC2)cs1.
What is the InChIKey of 6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide?
The InChIKey is BIHNFGQFGGNTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c19-10-6-2-5-9-16(23)22-18-21-15(13-25-18)11-17(24)20-12-14-7-3-1-4-8-14/h13-14H,1-12,19H2,(H,20,24)(H,21,22,23).
What are the key properties of 6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide?
6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide 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 6-amino-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide is sourced from PubChem (CID 11501508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).