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

C14H17ClN4OS — CID 119777341

IUPAC1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1ccc(Cc2nnc(NC(=O)C3(N)CC3)s2)cc1.Cl
InChIInChI=1S/C14H16N4OS.ClH/c1-9-2-4-10(5-3-9)8-11-17-18-13(20-11)16-12(19)14(15)6-7-14;/h2-5H,6-8,15H2,1H3,(H,16,18,19);1H
InChIKeyKEOGMYHPRRZNOR-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.29
Rot. Bonds4

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

1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119777341) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119777341
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1ccc(Cc2nnc(NC(=O)C3(N)CC3)s2)cc1.Cl
InChIInChI=1S/C14H16N4OS.ClH/c1-9-2-4-10(5-3-9)8-11-17-18-13(20-11)16-12(19)14(15)6-7-14;/h2-5H,6-8,15H2,1H3,(H,16,18,19);1H
InChIKeyKEOGMYHPRRZNOR-UHFFFAOYSA-N
XLogP2.29
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 170911206
1-amino-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119737916
2-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride
CID 119319962
(2S)-2-amino-3,3-dimethyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 119777368
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
4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
CID 113335005
1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 119265205
1-[[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122079781
(2S,4S)-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 120631372
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24566218

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride (CID 119777341) is 1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride is Cc1ccc(Cc2nnc(NC(=O)C3(N)CC3)s2)cc1.Cl.
What is the InChIKey of 1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is KEOGMYHPRRZNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS.ClH/c1-9-2-4-10(5-3-9)8-11-17-18-13(20-11)16-12(19)14(15)6-7-14;/h2-5H,6-8,15H2,1H3,(H,16,18,19);1H.
What are the key properties of 1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 324.84 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119777341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).