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

C9H11N5OS — CID 75456921

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCn1ccc(CCNC(=O)c2cnsn2)n1
InChIInChI=1S/C9H11N5OS/c1-14-5-3-7(12-14)2-4-10-9(15)8-6-11-16-13-8/h3,5-6H,2,4H2,1H3,(H,10,15)
InChIKeyALENBEQZRBVOPB-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.24
Rot. Bonds4

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

N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 75456921) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID75456921
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCn1ccc(CCNC(=O)c2cnsn2)n1
InChIInChI=1S/C9H11N5OS/c1-14-5-3-7(12-14)2-4-10-9(15)8-6-11-16-13-8/h3,5-6H,2,4H2,1H3,(H,10,15)
InChIKeyALENBEQZRBVOPB-UHFFFAOYSA-N
XLogP0.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-3-pyrazol-1-ylpropyl)-1-phenyltriazole-4-carboxamide
CID 48173469
1-(2-aminoethyl)-N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1H-1,2,3-triazole-4-carboxamide
CID 70705811
1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide
CID 42289904
1-(cis-4-aminocyclohexyl)-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 70714245
1-(2-aminoethyl)-N-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 70721024
[4-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-1,4-diazepan-1-yl]-(1-methyltriazol-4-yl)methanone
CID 71790602
1-methyl-N-((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 91629666
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]acetamide
CID 91840624
N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-1H-1,2,3-triazole-5-carboxamide
CID 118781482
4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide
CID 164637939
4-({[1-(difluoromethyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}amino)-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 17025155
1-(difluoromethyl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 19264135

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide (CID 75456921) is N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide is Cn1ccc(CCNC(=O)c2cnsn2)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is ALENBEQZRBVOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-14-5-3-7(12-14)2-4-10-9(15)8-6-11-16-13-8/h3,5-6H,2,4H2,1H3,(H,10,15).
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide?
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 75456921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).