3-(3-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide

C10H12N4OS — CID 45106807

IUPAC3-(3-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccn(CCC(=O)Nc2nccs2)n1
InChIInChI=1S/C10H12N4OS/c1-8-2-5-14(13-8)6-3-9(15)12-10-11-4-7-16-10/h2,4-5,7H,3,6H2,1H3,(H,11,12,15)
InChIKeyHFJJJEFVECYIPR-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.68
Rot. Bonds4

About 3-(3-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(3-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 45106807) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID45106807
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name3-(3-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccn(CCC(=O)Nc2nccs2)n1
InChIInChI=1S/C10H12N4OS/c1-8-2-5-14(13-8)6-3-9(15)12-10-11-4-7-16-10/h2,4-5,7H,3,6H2,1H3,(H,11,12,15)
InChIKeyHFJJJEFVECYIPR-UHFFFAOYSA-N
XLogP1.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(5-methylthiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 6464339
1-ethyl-N-(thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 649902
4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 831420
3-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 843568
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1259355
2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 903234
N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
CID 35522280
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147779
N-[4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53607494
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 75369831
N-[7-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 171351546

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 45106807) is 3-(3-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is Cc1ccn(CCC(=O)Nc2nccs2)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is HFJJJEFVECYIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-8-2-5-14(13-8)6-3-9(15)12-10-11-4-7-16-10/h2,4-5,7H,3,6H2,1H3,(H,11,12,15).
What are the key properties of 3-(3-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(3-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 236.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 45106807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).