N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide

C15H18N4OS — CID 65205920

IUPACN-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(Cc1cccc(N)c1)C1CC1
InChIInChI=1S/C15H18N4OS/c1-2-13-14(21-18-17-13)15(20)19(12-6-7-12)9-10-4-3-5-11(16)8-10/h3-5,8,12H,2,6-7,9,16H2,1H3
InChIKeyNYBRIWSNZIYUDK-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.49
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide

N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide (PubChem CID 65205920) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide
PubChem CID65205920
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(Cc1cccc(N)c1)C1CC1
InChIInChI=1S/C15H18N4OS/c1-2-13-14(21-18-17-13)15(20)19(12-6-7-12)9-10-4-3-5-11(16)8-10/h3-5,8,12H,2,6-7,9,16H2,1H3
InChIKeyNYBRIWSNZIYUDK-UHFFFAOYSA-N
XLogP2.49
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
CID 65215763
1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea
CID 79154554
N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 66129017
N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 63086101
N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide
CID 62960207
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
CID 83146723
4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide
CID 65209875
N-[(3-chlorophenyl)methyl]-N-cyclopropyl-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154571647
N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65205282
N-[(3-aminophenyl)methyl]-N-(4-methoxycyclohexyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120795
6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide
CID 64588996

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide (CID 65205920) is N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(Cc1cccc(N)c1)C1CC1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide?
The InChIKey is NYBRIWSNZIYUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-2-13-14(21-18-17-13)15(20)19(12-6-7-12)9-10-4-3-5-11(16)8-10/h3-5,8,12H,2,6-7,9,16H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide?
N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).