tert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate

C18H19ClN2O3S — CID 121342694

IUPACtert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(C(C)(O)c2cnc(Cl)s2)c2ccccc21
InChIInChI=1S/C18H19ClN2O3S/c1-17(2,3)24-16(22)21-10-12(11-7-5-6-8-13(11)21)18(4,23)14-9-20-15(19)25-14/h5-10,23H,1-4H3
InChIKeySXXBYLKDUUGXLU-UHFFFAOYSA-N
MW378.88 g/mol
LogP4.79
Rot. Bonds2

About tert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate

tert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate (PubChem CID 121342694) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is tert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate
PubChem CID121342694
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Nametert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(C(C)(O)c2cnc(Cl)s2)c2ccccc21
InChIInChI=1S/C18H19ClN2O3S/c1-17(2,3)24-16(22)21-10-12(11-7-5-6-8-13(11)21)18(4,23)14-9-20-15(19)25-14/h5-10,23H,1-4H3
InChIKeySXXBYLKDUUGXLU-UHFFFAOYSA-N
XLogP4.79
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate 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 3-(1-hydroxy-1-phenylethyl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 101385624
tert-butyl 3-(2-chlorothiophen-3-yl)indole-1-carboxylate
CID 135380466
tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)indole-1-carboxylate
CID 10979418
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
tert-butyl 3-acetylindole-1-carboxylate
CID 14593498
tert-butyl 3-(2-chloropyrimidin-4-yl)indole-1-carboxylate
CID 156694217
CID 163971727
CID 163971727
tert-butyl 3-formylindole-1-carboxylate
CID 2764519
tert-butyl 4-oxoquinoline-1-carboxylate
CID 71540334
tert-butyl 3-(aminomethyl)indole-1-carboxylate
CID 10999341
tert-butyl 3-(2-hydroxy-2-methyl-3-oxobutanoyl)indole-1-carboxylate
CID 135064765
tert-butyl 3-(thiazinan-2-yl)indole-1-carboxylate
CID 166081581

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate (CID 121342694) is tert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate is CC(C)(C)OC(=O)n1cc(C(C)(O)c2cnc(Cl)s2)c2ccccc21.
What is the InChIKey of tert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate?
The InChIKey is SXXBYLKDUUGXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-17(2,3)24-16(22)21-10-12(11-7-5-6-8-13(11)21)18(4,23)14-9-20-15(19)25-14/h5-10,23H,1-4H3.
What are the key properties of tert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate?
tert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate has a molecular weight of 378.88 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(2-chloro-1,3-thiazol-5-yl)-1-hydroxyethyl]indole-1-carboxylate is sourced from PubChem (CID 121342694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).