N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylthiadiazole-5-carboxamide

C14H13ClN6OS — CID 122145580

IUPACN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H13ClN6OS/c1-2-11-12(23-20-18-11)13(22)17-14-16-8-21(19-14)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,19,22)
InChIKeyOQOQDKRXFMCTLV-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.65
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylthiadiazole-5-carboxamide

N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 122145580) has the molecular formula C14H13ClN6OS and a molecular weight of 348.82 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylthiadiazole-5-carboxamide
PubChem CID122145580
Molecular FormulaC14H13ClN6OS
Molecular Weight348.82 g/mol
Exact Mass348.06
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H13ClN6OS/c1-2-11-12(23-20-18-11)13(22)17-14-16-8-21(19-14)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,19,22)
InChIKeyOQOQDKRXFMCTLV-UHFFFAOYSA-N
XLogP2.65
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-methoxypropanamide
CID 71979884
N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 24513704
N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
CID 107301174
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-ethylthiadiazole-5-carboxamide
CID 81252115
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19503393
N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide
CID 47418901
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(2,6-dimethylphenoxy)acetamide
CID 46268336
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501264
1-[(4-tert-butylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19273831
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277534
3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19509499

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylthiadiazole-5-carboxamide (CID 122145580) is N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is OQOQDKRXFMCTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6OS/c1-2-11-12(23-20-18-11)13(22)17-14-16-8-21(19-14)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,19,22).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylthiadiazole-5-carboxamide?
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 348.82 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 122145580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).