2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride

C12H23ClN4OS — CID 119678026

IUPAC2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride
SMILESCCCCc1nnc(NC(=O)C(N)C(C)CC)s1.Cl
InChIInChI=1S/C12H22N4OS.ClH/c1-4-6-7-9-15-16-12(18-9)14-11(17)10(13)8(3)5-2;/h8,10H,4-7,13H2,1-3H3,(H,14,16,17);1H
InChIKeyJKYRZGWELZLIMG-UHFFFAOYSA-N
MW306.86 g/mol
LogP2.61
Rot. Bonds7

About 2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride

2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride (PubChem CID 119678026) has the molecular formula C12H23ClN4OS and a molecular weight of 306.86 g/mol. Its IUPAC name is 2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride
PubChem CID119678026
Molecular FormulaC12H23ClN4OS
Molecular Weight306.86 g/mol
Exact Mass306.13
IUPAC Name2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride
SMILESCCCCc1nnc(NC(=O)C(N)C(C)CC)s1.Cl
InChIInChI=1S/C12H22N4OS.ClH/c1-4-6-7-9-15-16-12(18-9)14-11(17)10(13)8(3)5-2;/h8,10H,4-7,13H2,1-3H3,(H,14,16,17);1H
InChIKeyJKYRZGWELZLIMG-UHFFFAOYSA-N
XLogP2.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[5-[(2-amino-3-methylpentanoyl)amino]-1,3,4-thiadiazol-2-yl]butanoate;hydrochloride
CID 119796360
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
CID 121088928
2-amino-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 42757431
N-[5-(4-aminobutyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 82176715
methyl 4-[5-[[(2S)-2-amino-4-methylpentanoyl]amino]-1,3,4-thiadiazol-2-yl]butanoate;hydrochloride
CID 119796372
pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate
CID 2207802
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 5040744
2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide
CID 113228219
tert-butyl N-[(2R)-1-oxo-1-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]carbamate
CID 47082039
(E)-N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide
CID 6435707
(2S)-2-amino-3-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 61174043

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride (CID 119678026) is 2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride is CCCCc1nnc(NC(=O)C(N)C(C)CC)s1.Cl.
What is the InChIKey of 2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride?
The InChIKey is JKYRZGWELZLIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS.ClH/c1-4-6-7-9-15-16-12(18-9)14-11(17)10(13)8(3)5-2;/h8,10H,4-7,13H2,1-3H3,(H,14,16,17);1H.
What are the key properties of 2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride?
2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride has a molecular weight of 306.86 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119678026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).