N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide

C14H18N4OS — CID 103110263

IUPACN-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1cccc(N)c1C
InChIInChI=1S/C14H18N4OS/c1-3-5-12-13(20-18-17-12)14(19)16-8-10-6-4-7-11(15)9(10)2/h4,6-7H,3,5,8,15H2,1-2H3,(H,16,19)
InChIKeyPZCQLYDRNPBWEI-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.31
Rot. Bonds5

About N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide

N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 103110263) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide
PubChem CID103110263
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1cccc(N)c1C
InChIInChI=1S/C14H18N4OS/c1-3-5-12-13(20-18-17-12)14(19)16-8-10-6-4-7-11(15)9(10)2/h4,6-7H,3,5,8,15H2,1-2H3,(H,16,19)
InChIKeyPZCQLYDRNPBWEI-UHFFFAOYSA-N
XLogP2.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 18198095
4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide
CID 121166113
N-[[4-(chloromethyl)phenyl]methyl]-4-propylthiadiazole-5-carboxamide
CID 107233259
N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206061
N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide
CID 103110206
N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206399
4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide
CID 33067113
N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
CID 65206200
N-[(3-amino-2-methylphenyl)methyl]-5-ethylthiophene-2-carboxamide
CID 103110160
N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65206447
N-[(4-aminophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65205922
N-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206156

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide (CID 103110263) is N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCc1cccc(N)c1C.
What is the InChIKey of N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is PZCQLYDRNPBWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-5-12-13(20-18-17-12)14(19)16-8-10-6-4-7-11(15)9(10)2/h4,6-7H,3,5,8,15H2,1-2H3,(H,16,19).
What are the key properties of N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide?
N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 103110263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).