N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide

C15H20N4OS — CID 65206802

IUPACN-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)c1snnc1C(C)C
InChIInChI=1S/C15H20N4OS/c1-4-19(9-11-5-7-12(16)8-6-11)15(20)14-13(10(2)3)17-18-21-14/h5-8,10H,4,9,16H2,1-3H3
InChIKeyCHQQJTXUBOWDTM-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.91
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide

N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65206802) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65206802
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)c1snnc1C(C)C
InChIInChI=1S/C15H20N4OS/c1-4-19(9-11-5-7-12(16)8-6-11)15(20)14-13(10(2)3)17-18-21-14/h5-8,10H,4,9,16H2,1-3H3
InChIKeyCHQQJTXUBOWDTM-UHFFFAOYSA-N
XLogP2.91
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65206613
N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 70606713
2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid
CID 65204756
N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide
CID 81116669
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-yl-N-propylthiadiazole-5-carboxamide
CID 79667927
N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 43458748
N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide
CID 43458689
N-(1-chloropropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 104555923
N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 104556329
N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide
CID 43458715
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204223
N-[(4-aminophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65205922

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide (CID 65206802) is N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide is CCN(Cc1ccc(N)cc1)C(=O)c1snnc1C(C)C.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is CHQQJTXUBOWDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-4-19(9-11-5-7-12(16)8-6-11)15(20)14-13(10(2)3)17-18-21-14/h5-8,10H,4,9,16H2,1-3H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide?
N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65206802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).