tert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate

C12H19NO2S — CID 58305799

IUPACtert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate
SMILESCc1csc([C@@H](C)CC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19NO2S/c1-8(11-13-9(2)7-16-11)6-10(14)15-12(3,4)5/h7-8H,6H2,1-5H3/t8-/m0/s1
InChIKeyQCSLSPLBQMLGHE-QMMMGPOBSA-N
MW241.36 g/mol
LogP3.29
Rot. Bonds3

About tert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate

tert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate (PubChem CID 58305799) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is tert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate
PubChem CID58305799
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Nametert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate
SMILESCc1csc([C@@H](C)CC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19NO2S/c1-8(11-13-9(2)7-16-11)6-10(14)15-12(3,4)5/h7-8H,6H2,1-5H3/t8-/m0/s1
InChIKeyQCSLSPLBQMLGHE-QMMMGPOBSA-N
XLogP3.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 45792271
3-(4-Methyl-1,3-thiazol-2-yl)propanoic acid
CID 28950260
Ethyl 3-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoropropanoate
CID 79816964
Ethyl 3-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoropropanoate
CID 79818064
3-[4-(Fluoromethyl)-1,3-thiazol-2-yl]-2-methylpropanoic acid
CID 84777171
3-[4-(Difluoromethyl)-1,3-thiazol-2-yl]-2-methylpropanoic acid
CID 84787774
3-[4-(2-Fluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanoic acid
CID 84794364
3-(4-Trifluoromethyl-thiazol-2-yl)-propionic acid ethyl ester
CID 100024484
Tert-butyl 2-[4-(difluoromethyl)thiazol-2-yl]acetate
CID 129532355
2-Fluoro-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
CID 130820102
Ethyl 3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropanoate
CID 4260174
Methyl 3-(2-Isopropyl-4-thiazolyl)propanoate
CID 18758926

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate?
The IUPAC name of tert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate (CID 58305799) is tert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate.
What is the SMILES notation for tert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate?
The canonical SMILES for tert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate is Cc1csc([C@@H](C)CC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate?
The InChIKey is QCSLSPLBQMLGHE-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-8(11-13-9(2)7-16-11)6-10(14)15-12(3,4)5/h7-8H,6H2,1-5H3/t8-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate?
tert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate has a molecular weight of 241.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(4-methyl-1,3-thiazol-2-yl)butanoate is sourced from PubChem (CID 58305799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).