(4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole

C11H13NS — CID 58348711

IUPAC(4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(C2=N[C@H](C)CS2)cc1
InChIInChI=1S/C11H13NS/c1-8-3-5-10(6-4-8)11-12-9(2)7-13-11/h3-6,9H,7H2,1-2H3/t9-/m1/s1
InChIKeyDMXUZJKDLKSMAA-SECBINFHSA-N
MW191.30 g/mol
LogP2.88
Rot. Bonds1

About (4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole

(4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole (PubChem CID 58348711) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is (4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole
PubChem CID58348711
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name(4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(C2=N[C@H](C)CS2)cc1
InChIInChI=1S/C11H13NS/c1-8-3-5-10(6-4-8)11-12-9(2)7-13-11/h3-6,9H,7H2,1-2H3/t9-/m1/s1
InChIKeyDMXUZJKDLKSMAA-SECBINFHSA-N
XLogP2.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole (CID 58348711) is (4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole is Cc1ccc(C2=N[C@H](C)CS2)cc1.
What is the InChIKey of (4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is DMXUZJKDLKSMAA-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NS/c1-8-3-5-10(6-4-8)11-12-9(2)7-13-11/h3-6,9H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole?
(4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 191.30 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 58348711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).