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

C13H16Cl2N4OS — CID 119336923

IUPAC2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride
SMILESCC(C)(N)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1.Cl
InChIInChI=1S/C13H15ClN4OS.ClH/c1-13(2,15)11(19)16-12-18-17-10(20-12)7-8-4-3-5-9(14)6-8;/h3-6H,7,15H2,1-2H3,(H,16,18,19);1H
InChIKeyHRCKYGSEBCSKQU-UHFFFAOYSA-N
MW347.27 g/mol
LogP2.88
Rot. Bonds4

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

2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride (PubChem CID 119336923) has the molecular formula C13H16Cl2N4OS and a molecular weight of 347.27 g/mol. Its IUPAC name is 2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride
PubChem CID119336923
Molecular FormulaC13H16Cl2N4OS
Molecular Weight347.27 g/mol
Exact Mass346.04
IUPAC Name2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride
SMILESCC(C)(N)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1.Cl
InChIInChI=1S/C13H15ClN4OS.ClH/c1-13(2,15)11(19)16-12-18-17-10(20-12)7-8-4-3-5-9(14)6-8;/h3-6H,7,15H2,1-2H3,(H,16,18,19);1H
InChIKeyHRCKYGSEBCSKQU-UHFFFAOYSA-N
XLogP2.88
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 119336943
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CID 119807008
(2S)-2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
CID 119336928
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CID 139521516
9-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120991215
N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119807010
(2R,3S)-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylmorpholine-3-carboxamide
CID 120935514
N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide;hydrochloride
CID 68763771
2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole
CID 63386452
N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide
CID 71993973
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 603022
2-amino-2-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119270517

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride (CID 119336923) is 2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride is CC(C)(N)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1.Cl.
What is the InChIKey of 2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride?
The InChIKey is HRCKYGSEBCSKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS.ClH/c1-13(2,15)11(19)16-12-18-17-10(20-12)7-8-4-3-5-9(14)6-8;/h3-6H,7,15H2,1-2H3,(H,16,18,19);1H.
What are the key properties of 2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride?
2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride has a molecular weight of 347.27 g/mol, XLogP of 2.88, 4 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)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119336923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).