3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide

C10H12N4OS — CID 47298454

IUPAC3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCn1cc(CCC(=O)Nc2nccs2)cn1
InChIInChI=1S/C10H12N4OS/c1-14-7-8(6-12-14)2-3-9(15)13-10-11-4-5-16-10/h4-7H,2-3H2,1H3,(H,11,13,15)
InChIKeyNQDVGWQLJWLIGR-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.45
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 47298454) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID47298454
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCn1cc(CCC(=O)Nc2nccs2)cn1
InChIInChI=1S/C10H12N4OS/c1-14-7-8(6-12-14)2-3-9(15)13-10-11-4-5-16-10/h4-7H,2-3H2,1H3,(H,11,13,15)
InChIKeyNQDVGWQLJWLIGR-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35536420
3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 19221204
N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35531684
3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 120998386
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
3-(1-methylpyrazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 56816525
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 78904432
5-(1-methylindol-3-yl)-N-(1,3-thiazol-2-yl)pentanamide
CID 140983112
3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 74239207
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
3-(4-hydroxypiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 86217821
3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
CID 78905445

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 47298454) is 3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide is Cn1cc(CCC(=O)Nc2nccs2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is NQDVGWQLJWLIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-14-7-8(6-12-14)2-3-9(15)13-10-11-4-5-16-10/h4-7H,2-3H2,1H3,(H,11,13,15).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 236.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 47298454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).