(4R)-4-ethyl-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole

C10H12N2S — CID 101170013

IUPAC(4R)-4-ethyl-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole
SMILESCC[C@@H]1CSC(c2ccccn2)=N1
InChIInChI=1S/C10H12N2S/c1-2-8-7-13-10(12-8)9-5-3-4-6-11-9/h3-6,8H,2,7H2,1H3/t8-/m1/s1
InChIKeyKKUGVLWOTSEKFW-MRVPVSSYSA-N
MW192.29 g/mol
LogP2.35
Rot. Bonds2

About (4R)-4-ethyl-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole

(4R)-4-ethyl-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole (PubChem CID 101170013) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is (4R)-4-ethyl-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-4-ethyl-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole
PubChem CID101170013
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name(4R)-4-ethyl-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole
SMILESCC[C@@H]1CSC(c2ccccn2)=N1
InChIInChI=1S/C10H12N2S/c1-2-8-7-13-10(12-8)9-5-3-4-6-11-9/h3-6,8H,2,7H2,1H3/t8-/m1/s1
InChIKeyKKUGVLWOTSEKFW-MRVPVSSYSA-N
XLogP2.35
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-4-ethyl-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole (CID 101170013) is (4R)-4-ethyl-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-4-ethyl-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-4-ethyl-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole is CC[C@@H]1CSC(c2ccccn2)=N1.
What is the InChIKey of (4R)-4-ethyl-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole?
The InChIKey is KKUGVLWOTSEKFW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-2-8-7-13-10(12-8)9-5-3-4-6-11-9/h3-6,8H,2,7H2,1H3/t8-/m1/s1.
What are the key properties of (4R)-4-ethyl-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole?
(4R)-4-ethyl-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole has a molecular weight of 192.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 101170013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).