2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole

C15H19NOS2 — CID 95318879

IUPAC2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole
SMILESCc1nc(C[S@](=O)Cc2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C15H19NOS2/c1-11(2)14-6-4-13(5-7-14)9-19(17)10-15-8-18-12(3)16-15/h4-8,11H,9-10H2,1-3H3/t19-/m1/s1
InChIKeyINNXJGIJCDDHQN-LJQANCHMSA-N
MW293.46 g/mol
LogP4.02
Rot. Bonds5

About 2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole

2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole (PubChem CID 95318879) has the molecular formula C15H19NOS2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole
PubChem CID95318879
Molecular FormulaC15H19NOS2
Molecular Weight293.46 g/mol
Exact Mass293.09
IUPAC Name2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole
SMILESCc1nc(C[S@](=O)Cc2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C15H19NOS2/c1-11(2)14-6-4-13(5-7-14)9-19(17)10-15-8-18-12(3)16-15/h4-8,11H,9-10H2,1-3H3/t19-/m1/s1
InChIKeyINNXJGIJCDDHQN-LJQANCHMSA-N
XLogP4.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62799687
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3-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]butanoic acid
CID 66115944
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide
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2-benzylsulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 64639260
4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole
CID 58762168
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 102556500
5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline
CID 81175576
1-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 41278631
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline
CID 81182064
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole (CID 95318879) is 2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole is Cc1nc(C[S@](=O)Cc2ccc(C(C)C)cc2)cs1.
What is the InChIKey of 2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole?
The InChIKey is INNXJGIJCDDHQN-LJQANCHMSA-N. The full InChI is InChI=1S/C15H19NOS2/c1-11(2)14-6-4-13(5-7-14)9-19(17)10-15-8-18-12(3)16-15/h4-8,11H,9-10H2,1-3H3/t19-/m1/s1.
What are the key properties of 2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole?
2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole has a molecular weight of 293.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(R)-(4-propan-2-ylphenyl)methylsulfinyl]methyl]-1,3-thiazole is sourced from PubChem (CID 95318879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).