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

C15H21ClN4OS — CID 119319962

IUPAC2-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1nnc(Cc2ccc(C)cc2)s1.Cl
InChIInChI=1S/C15H20N4OS.ClH/c1-3-4-12(16)14(20)17-15-19-18-13(21-15)9-11-7-5-10(2)6-8-11;/h5-8,12H,3-4,9,16H2,1-2H3,(H,17,19,20);1H
InChIKeyTWFMPSFACREGMA-UHFFFAOYSA-N
MW340.88 g/mol
LogP2.93
Rot. Bonds6

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

2-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride (PubChem CID 119319962) has the molecular formula C15H21ClN4OS and a molecular weight of 340.88 g/mol. Its IUPAC name is 2-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride
PubChem CID119319962
Molecular FormulaC15H21ClN4OS
Molecular Weight340.88 g/mol
Exact Mass340.11
IUPAC Name2-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1nnc(Cc2ccc(C)cc2)s1.Cl
InChIInChI=1S/C15H20N4OS.ClH/c1-3-4-12(16)14(20)17-15-19-18-13(21-15)9-11-7-5-10(2)6-8-11;/h5-8,12H,3-4,9,16H2,1-2H3,(H,17,19,20);1H
InChIKeyTWFMPSFACREGMA-UHFFFAOYSA-N
XLogP2.93
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 119777368
1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119777341
2-chloro-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 170911206
2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide
CID 113228219
(2S)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-ethylhexanamide
CID 7322467
(2S)-2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
CID 119336928
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 4026988
2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 106151126
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 3151641
2-methoxy-2-methyl-3-[[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-3-oxopropanoic acid
CID 138033239
3-[methyl-[[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]amino]propanoic acid
CID 122079786
1-[2-(dimethylamino)ethyl]-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 75500132

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride (CID 119319962) is 2-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride is CCCC(N)C(=O)Nc1nnc(Cc2ccc(C)cc2)s1.Cl.
What is the InChIKey of 2-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride?
The InChIKey is TWFMPSFACREGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS.ClH/c1-3-4-12(16)14(20)17-15-19-18-13(21-15)9-11-7-5-10(2)6-8-11;/h5-8,12H,3-4,9,16H2,1-2H3,(H,17,19,20);1H.
What are the key properties of 2-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride?
2-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride has a molecular weight of 340.88 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride is sourced from PubChem (CID 119319962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).