4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole

C12H12N2OS2 — CID 123874586

IUPAC4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole
SMILESCS(=O)c1sc(-c2cccnc2)nc1C1CC1
InChIInChI=1S/C12H12N2OS2/c1-17(15)12-10(8-4-5-8)14-11(16-12)9-3-2-6-13-7-9/h2-3,6-8H,4-5H2,1H3
InChIKeyPRWYFOLKZAZVQZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.82
Rot. Bonds3

About 4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole

4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 123874586) has the molecular formula C12H12N2OS2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole
PubChem CID123874586
Molecular FormulaC12H12N2OS2
Molecular Weight264.37 g/mol
Exact Mass264.04
IUPAC Name4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole
SMILESCS(=O)c1sc(-c2cccnc2)nc1C1CC1
InChIInChI=1S/C12H12N2OS2/c1-17(15)12-10(8-4-5-8)14-11(16-12)9-3-2-6-13-7-9/h2-3,6-8H,4-5H2,1H3
InChIKeyPRWYFOLKZAZVQZ-UHFFFAOYSA-N
XLogP2.82
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
CID 123930282
5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole-4-carbonitrile
CID 161077475
4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
CID 123250863
2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976502
5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 116885014
2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide
CID 59580614
4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine
CID 112554804
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide
CID 59580590
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
2-cyclopropyl-5-[3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-1-yl]-1,3,4-thiadiazole
CID 58416084
3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole
CID 14763500
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole (CID 123874586) is 4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole is CS(=O)c1sc(-c2cccnc2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is PRWYFOLKZAZVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-17(15)12-10(8-4-5-8)14-11(16-12)9-3-2-6-13-7-9/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole?
4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 264.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 123874586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).