N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide

C15H15N5O2S2 — CID 77081831

IUPACN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1nnc(SCCNC(=O)c2cc(=O)n(-c3ccccc3)[nH]2)s1
InChIInChI=1S/C15H15N5O2S2/c1-10-17-18-15(24-10)23-8-7-16-14(22)12-9-13(21)20(19-12)11-5-3-2-4-6-11/h2-6,9,19H,7-8H2,1H3,(H,16,22)
InChIKeyQHZHKGBNWLREGB-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.85
Rot. Bonds6

About N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide

N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 77081831) has the molecular formula C15H15N5O2S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
PubChem CID77081831
Molecular FormulaC15H15N5O2S2
Molecular Weight361.45 g/mol
Exact Mass361.07
IUPAC NameN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1nnc(SCCNC(=O)c2cc(=O)n(-c3ccccc3)[nH]2)s1
InChIInChI=1S/C15H15N5O2S2/c1-10-17-18-15(24-10)23-8-7-16-14(22)12-9-13(21)20(19-12)11-5-3-2-4-6-11/h2-6,9,19H,7-8H2,1H3,(H,16,22)
InChIKeyQHZHKGBNWLREGB-UHFFFAOYSA-N
XLogP1.85
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 54252922
1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide
CID 72869883
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70755049
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxochromene-3-carboxamide
CID 46993886
4-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1H-pyrrole-2-carboxamide
CID 77084955
(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 97268778
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide
CID 714643
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 77085866
4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide
CID 131916418
2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide
CID 74240978
N-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 18618961
3-(3-methylphenyl)-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 90093939

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide (CID 77081831) is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide is Cc1nnc(SCCNC(=O)c2cc(=O)n(-c3ccccc3)[nH]2)s1.
What is the InChIKey of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is QHZHKGBNWLREGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S2/c1-10-17-18-15(24-10)23-8-7-16-14(22)12-9-13(21)20(19-12)11-5-3-2-4-6-11/h2-6,9,19H,7-8H2,1H3,(H,16,22).
What are the key properties of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 77081831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).