2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole

C9H13NO2S — CID 146570752

IUPAC2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole
SMILESCC1(C)OC[C@@](C)(c2nccs2)O1
InChIInChI=1S/C9H13NO2S/c1-8(2)11-6-9(3,12-8)7-10-4-5-13-7/h4-5H,6H2,1-3H3/t9-/m0/s1
InChIKeyBVZBMVIEKDYVKT-VIFPVBQESA-N
MW199.28 g/mol
LogP2.14
Rot. Bonds1

About 2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole

2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole (PubChem CID 146570752) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole
PubChem CID146570752
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole
SMILESCC1(C)OC[C@@](C)(c2nccs2)O1
InChIInChI=1S/C9H13NO2S/c1-8(2)11-6-9(3,12-8)7-10-4-5-13-7/h4-5H,6H2,1-3H3/t9-/m0/s1
InChIKeyBVZBMVIEKDYVKT-VIFPVBQESA-N
XLogP2.14
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole with MolForge

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Related Compounds

2-(1,1-Dimethoxyethyl)thiazole
CID 11073980
2-(2-Methyl-1,3-dioxolan-2-yl)thiazole
CID 11298213
2-(1,3-Dioxolan-2-yl)-1,3-thiazole
CID 15205158
[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane
CID 13495497
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol
CID 14237955
(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol
CID 14237957
2-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole
CID 71400311
4-(Hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one
CID 134846739
[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane
CID 134923302
2-[1,1,1,3,3,3-Hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole
CID 86213976
2-(1-Methyl-1-{[2-(trimethylsilyl)ethoxy]methoxy}ethyl)thiazole
CID 10869473
2-[(2R)-2-methyloxiran-2-yl]-1,3-thiazole
CID 15853713

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole?
The IUPAC name of 2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole (CID 146570752) is 2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole is CC1(C)OC[C@@](C)(c2nccs2)O1.
What is the InChIKey of 2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole?
The InChIKey is BVZBMVIEKDYVKT-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13NO2S/c1-8(2)11-6-9(3,12-8)7-10-4-5-13-7/h4-5H,6H2,1-3H3/t9-/m0/s1.
What are the key properties of 2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole?
2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole has a molecular weight of 199.28 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole is sourced from PubChem (CID 146570752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).