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

C15H26N4O2S — CID 11609548

IUPAC6-amino-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide
SMILESCC(C)CNC(=O)Cc1csc(NC(=O)CCCCCN)n1
InChIInChI=1S/C15H26N4O2S/c1-11(2)9-17-14(21)8-12-10-22-15(18-12)19-13(20)6-4-3-5-7-16/h10-11H,3-9,16H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyHHKISPGVNMIILH-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.92
Rot. Bonds10

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

6-amino-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide (PubChem CID 11609548) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 6-amino-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide
PubChem CID11609548
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name6-amino-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide
SMILESCC(C)CNC(=O)Cc1csc(NC(=O)CCCCCN)n1
InChIInChI=1S/C15H26N4O2S/c1-11(2)9-17-14(21)8-12-10-22-15(18-12)19-13(20)6-4-3-5-7-16/h10-11H,3-9,16H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyHHKISPGVNMIILH-UHFFFAOYSA-N
XLogP1.92
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.92
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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Related Compounds

2-methylpropyl N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883996
N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032600
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 61482708
(E)-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 41229516
methyl 2-[2-(heptanoylamino)-1,3-thiazol-4-yl]acetate
CID 43431303
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 138577108
3-(6-aminohexanoylamino)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 11645047
2,4-dichloro-N-[2-[[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1029848
N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119627196

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide?
The IUPAC name of 6-amino-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide (CID 11609548) is 6-amino-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide.
What is the SMILES notation for 6-amino-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide?
The canonical SMILES for 6-amino-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide is CC(C)CNC(=O)Cc1csc(NC(=O)CCCCCN)n1.
What is the InChIKey of 6-amino-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide?
The InChIKey is HHKISPGVNMIILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-11(2)9-17-14(21)8-12-10-22-15(18-12)19-13(20)6-4-3-5-7-16/h10-11H,3-9,16H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 6-amino-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide?
6-amino-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide has a molecular weight of 326.47 g/mol, XLogP of 1.92, 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-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]hexanamide is sourced from PubChem (CID 11609548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).