N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide

C14H18N4OS — CID 65206061

IUPACN-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1c(N)ccc(C)c1C
InChIInChI=1S/C14H18N4OS/c1-4-5-11-13(20-18-17-11)14(19)16-12-9(3)8(2)6-7-10(12)15/h6-7H,4-5,15H2,1-3H3,(H,16,19)
InChIKeyVUHLNXYNJCSHNM-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.94
Rot. Bonds4

About N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide

N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 65206061) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
PubChem CID65206061
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1c(N)ccc(C)c1C
InChIInChI=1S/C14H18N4OS/c1-4-5-11-13(20-18-17-11)14(19)16-12-9(3)8(2)6-7-10(12)15/h6-7H,4-5,15H2,1-3H3,(H,16,19)
InChIKeyVUHLNXYNJCSHNM-UHFFFAOYSA-N
XLogP2.94
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.94
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

N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
CID 65199593
N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206399
N-(2-amino-6-methylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206156
N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide
CID 65210587
N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
CID 65206200
N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide
CID 103110263
N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
CID 136827232
N-(2-amino-6-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 65200034
N-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide
CID 114049064
N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide
CID 79110286
N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
CID 107612541
N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide (CID 65206061) is N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)Nc1c(N)ccc(C)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is VUHLNXYNJCSHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-4-5-11-13(20-18-17-11)14(19)16-12-9(3)8(2)6-7-10(12)15/h6-7H,4-5,15H2,1-3H3,(H,16,19).
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide?
N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65206061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).