2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile

C14H16N4OS — CID 178118288

IUPAC2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile
SMILESCOc1c(C(C)(C#N)c2nc(C3CC3)cs2)cnn1C
InChIInChI=1S/C14H16N4OS/c1-14(8-15,10-6-16-18(2)12(10)19-3)13-17-11(7-20-13)9-4-5-9/h6-7,9H,4-5H2,1-3H3
InChIKeyJZTCBRQEGFAGQF-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.59
Rot. Bonds4

About 2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile

2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile (PubChem CID 178118288) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile.

Molecular Properties

Compound Name2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile
PubChem CID178118288
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile
SMILESCOc1c(C(C)(C#N)c2nc(C3CC3)cs2)cnn1C
InChIInChI=1S/C14H16N4OS/c1-14(8-15,10-6-16-18(2)12(10)19-3)13-17-11(7-20-13)9-4-5-9/h6-7,9H,4-5H2,1-3H3
InChIKeyJZTCBRQEGFAGQF-UHFFFAOYSA-N
XLogP2.59
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propyl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 178118267
N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propyl]-5-(2,6-difluoro-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 178118273
2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine
CID 61338039
N-[2-(5-cyano-1-methylpyrazol-4-yl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)propyl]-2-(2,4-difluorophenyl)tetrazole-5-carboxamide
CID 178118286
4-cyclopropyl-1,3-thiazole-2-carbonitrile
CID 71748573
2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol
CID 116966698
4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carbonitrile
CID 116966279
4-cyclopropyl-1,3-thiazole-2-carboxylic acid
CID 51063804
6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile
CID 54958880
methyl 4-(1-methylpiperidin-4-yl)-1,3-thiazole-2-carboxylate
CID 116966375
2-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)propanenitrile
CID 168934075
CID 68792488
CID 68792488

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile?
The IUPAC name of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile (CID 178118288) is 2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile.
What is the SMILES notation for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile?
The canonical SMILES for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile is COc1c(C(C)(C#N)c2nc(C3CC3)cs2)cnn1C.
What is the InChIKey of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile?
The InChIKey is JZTCBRQEGFAGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-14(8-15,10-6-16-18(2)12(10)19-3)13-17-11(7-20-13)9-4-5-9/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile?
2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile has a molecular weight of 288.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(5-methoxy-1-methylpyrazol-4-yl)propanenitrile is sourced from PubChem (CID 178118288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).