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

C14H18Cl2N4OS — CID 119745185

IUPAC2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1.Cl
InChIInChI=1S/C14H17ClN4OS.ClH/c1-3-8(2)11(16)12(20)17-14-19-18-13(21-14)9-5-4-6-10(15)7-9;/h4-8,11H,3,16H2,1-2H3,(H,17,19,20);1H
InChIKeyXHTADJYFYYISQP-UHFFFAOYSA-N
MW361.30 g/mol
LogP3.59
Rot. Bonds5

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

2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride (PubChem CID 119745185) has the molecular formula C14H18Cl2N4OS and a molecular weight of 361.30 g/mol. Its IUPAC name is 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride
PubChem CID119745185
Molecular FormulaC14H18Cl2N4OS
Molecular Weight361.30 g/mol
Exact Mass360.06
IUPAC Name2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1.Cl
InChIInChI=1S/C14H17ClN4OS.ClH/c1-3-8(2)11(16)12(20)17-14-19-18-13(21-14)9-5-4-6-10(15)7-9;/h4-8,11H,3,16H2,1-2H3,(H,17,19,20);1H
InChIKeyXHTADJYFYYISQP-UHFFFAOYSA-N
XLogP3.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-2-amino-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide
CID 812182
2-amino-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 42757431
N-[(2R,3S)-1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 7297670
4-bromo-N-[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 5022459
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[2-(4-fluorophenyl)acetyl]amino]-3-methylpentanamide
CID 3584275
(2S,3R)-2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide
CID 92517064
(2S,3S)-2-[(4-bromophenyl)carbamoylamino]-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide
CID 98370144
N-[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2-methoxybenzamide
CID 42757881
2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 119745197
N-[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-nitrobenzamide
CID 42757863
(2S,3S)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(3-chlorophenyl)carbamoylamino]-3-methylpentanamide
CID 98370111
4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide
CID 120589978

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride (CID 119745185) is 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1.Cl.
What is the InChIKey of 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride?
The InChIKey is XHTADJYFYYISQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS.ClH/c1-3-8(2)11(16)12(20)17-14-19-18-13(21-14)9-5-4-6-10(15)7-9;/h4-8,11H,3,16H2,1-2H3,(H,17,19,20);1H.
What are the key properties of 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride?
2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride has a molecular weight of 361.30 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119745185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).