3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide

C12H17N5OS — CID 90652937

IUPAC3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
SMILESCc1cnn(CCC(=O)NCCc2nnc(C)s2)c1
InChIInChI=1S/C12H17N5OS/c1-9-7-14-17(8-9)6-4-11(18)13-5-3-12-16-15-10(2)19-12/h7-8H,3-6H2,1-2H3,(H,13,18)
InChIKeyXLXCFVLDBJJXSY-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.10
Rot. Bonds6

About 3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide

3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide (PubChem CID 90652937) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
PubChem CID90652937
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
SMILESCc1cnn(CCC(=O)NCCc2nnc(C)s2)c1
InChIInChI=1S/C12H17N5OS/c1-9-7-14-17(8-9)6-4-11(18)13-5-3-12-16-15-10(2)19-12/h7-8H,3-6H2,1-2H3,(H,13,18)
InChIKeyXLXCFVLDBJJXSY-UHFFFAOYSA-N
XLogP1.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19559644
3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
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1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483106
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide
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3-(1-methylpiperidin-2-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
CID 72885704
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
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methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 110870268
3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 87039778
4-(4-methylpyrazol-1-yl)butanehydrazide
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N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
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2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide (CID 90652937) is 3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide is Cc1cnn(CCC(=O)NCCc2nnc(C)s2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide?
The InChIKey is XLXCFVLDBJJXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-9-7-14-17(8-9)6-4-11(18)13-5-3-12-16-15-10(2)19-12/h7-8H,3-6H2,1-2H3,(H,13,18).
What are the key properties of 3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide?
3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide has a molecular weight of 279.37 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 90652937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).