N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide

C11H11ClN4OS — CID 174391939

IUPACN-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(CN)c(Cl)c1
InChIInChI=1S/C11H11ClN4OS/c1-6-10(18-16-15-6)11(17)14-8-3-2-7(5-13)9(12)4-8/h2-4H,5,13H2,1H3,(H,14,17)
InChIKeyXBXIIMFFGPQJID-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.21
Rot. Bonds3

About N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide

N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 174391939) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID174391939
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC NameN-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(CN)c(Cl)c1
InChIInChI=1S/C11H11ClN4OS/c1-6-10(18-16-15-6)11(17)14-8-3-2-7(5-13)9(12)4-8/h2-4H,5,13H2,1H3,(H,14,17)
InChIKeyXBXIIMFFGPQJID-UHFFFAOYSA-N
XLogP2.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 7576779
N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
CID 82862458
N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide
CID 20897506
N-[4-(3-aminoprop-1-ynyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 60803056
2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
CID 65346450
N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide
CID 9087191
N-[3-(3-aminoprop-1-ynyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 60802744
2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54926713
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 63333768
N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide (CID 174391939) is N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(CN)c(Cl)c1.
What is the InChIKey of N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is XBXIIMFFGPQJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c1-6-10(18-16-15-6)11(17)14-8-3-2-7(5-13)9(12)4-8/h2-4H,5,13H2,1H3,(H,14,17).
What are the key properties of N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide?
N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 282.76 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 174391939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).