2-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)propanenitrile

C10H10N4S — CID 168934075

IUPAC2-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)propanenitrile
SMILESCn1cc(C(C)(C#N)c2nccs2)cn1
InChIInChI=1S/C10H10N4S/c1-10(7-11,9-12-3-4-15-9)8-5-13-14(2)6-8/h3-6H,1-2H3
InChIKeyPDPMNBAIAAZLJT-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.71
Rot. Bonds2

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

2-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)propanenitrile (PubChem CID 168934075) has the molecular formula C10H10N4S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)propanenitrile.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)propanenitrile
PubChem CID168934075
Molecular FormulaC10H10N4S
Molecular Weight218.28 g/mol
Exact Mass218.06
IUPAC Name2-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)propanenitrile
SMILESCn1cc(C(C)(C#N)c2nccs2)cn1
InChIInChI=1S/C10H10N4S/c1-10(7-11,9-12-3-4-15-9)8-5-13-14(2)6-8/h3-6H,1-2H3
InChIKeyPDPMNBAIAAZLJT-UHFFFAOYSA-N
XLogP1.71
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dichloro-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)propanenitrile
CID 168934093
ethane;1-methyl-4-(trifluoromethyl)pyrazole
CID 145172818
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 120939712
2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid
CID 82412575
(2R)-2-(1,3-thiazol-2-yl)but-3-en-2-amine
CID 130857247
1-methyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrrole-2-carbonitrile
CID 103527307
(2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 95396406
1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61034807
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride
CID 120942262
N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61332232
ethane;2-(2-methylbutan-2-yl)-1,3-thiazole
CID 143011926
1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 130705017

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)propanenitrile?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)propanenitrile (CID 168934075) is 2-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)propanenitrile.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)propanenitrile?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)propanenitrile is Cn1cc(C(C)(C#N)c2nccs2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)propanenitrile?
The InChIKey is PDPMNBAIAAZLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c1-10(7-11,9-12-3-4-15-9)8-5-13-14(2)6-8/h3-6H,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)propanenitrile?
2-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)propanenitrile has a molecular weight of 218.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)propanenitrile is sourced from PubChem (CID 168934075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).