5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide

C9H10ClN5OS — CID 103005665

IUPAC5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCn1nccc1CCNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H10ClN5OS/c1-15-6(3-5-12-15)2-4-11-7(16)8-13-14-9(10)17-8/h3,5H,2,4H2,1H3,(H,11,16)
InChIKeyYYURFPQLNHUCLL-UHFFFAOYSA-N
MW271.73 g/mol
LogP0.90
Rot. Bonds4

About 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 103005665) has the molecular formula C9H10ClN5OS and a molecular weight of 271.73 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID103005665
Molecular FormulaC9H10ClN5OS
Molecular Weight271.73 g/mol
Exact Mass271.03
IUPAC Name5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCn1nccc1CCNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H10ClN5OS/c1-15-6(3-5-12-15)2-4-11-7(16)8-13-14-9(10)17-8/h3,5H,2,4H2,1H3,(H,11,16)
InChIKeyYYURFPQLNHUCLL-UHFFFAOYSA-N
XLogP0.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 104693705
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
CID 104693703
6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridazine-3-carboxamide
CID 103005660
3-chloro-6-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 103011360
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75522807
5-chloro-N-[2-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618039
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
CID 104693664
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 104694698
2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104693681
2-amino-6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104694768
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 103005665) is 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide is Cn1nccc1CCNC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is YYURFPQLNHUCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5OS/c1-15-6(3-5-12-15)2-4-11-7(16)8-13-14-9(10)17-8/h3,5H,2,4H2,1H3,(H,11,16).
What are the key properties of 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 271.73 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 103005665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).