[(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate

C19H23N3O2S — CID 68918965

IUPAC[(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate
SMILESCc1csc(C(OC(N)=O)[C@H](c2c[nH]c3ccccc23)C(C)(C)C)n1
InChIInChI=1S/C19H23N3O2S/c1-11-10-25-17(22-11)16(24-18(20)23)15(19(2,3)4)13-9-21-14-8-6-5-7-12(13)14/h5-10,15-16,21H,1-4H3,(H2,20,23)/t15-,16?/m0/s1
InChIKeyNUVSCLMBJJAVFR-VYRBHSGPSA-N
MW357.48 g/mol
LogP4.90
Rot. Bonds4

About [(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate

[(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate (PubChem CID 68918965) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is [(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate.

Molecular Properties

Compound Name[(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate
PubChem CID68918965
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name[(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate
SMILESCc1csc(C(OC(N)=O)[C@H](c2c[nH]c3ccccc23)C(C)(C)C)n1
InChIInChI=1S/C19H23N3O2S/c1-11-10-25-17(22-11)16(24-18(20)23)15(19(2,3)4)13-9-21-14-8-6-5-7-12(13)14/h5-10,15-16,21H,1-4H3,(H2,20,23)/t15-,16?/m0/s1
InChIKeyNUVSCLMBJJAVFR-VYRBHSGPSA-N
XLogP4.90
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate 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-[(1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamic acid
CID 68786976
ethyl 3-amino-2-(1H-indol-3-yl)-3-oxopropanoate
CID 67232223
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
diethyl 2-[(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]propanedioate
CID 40525406
methyl 2-(1H-indol-3-yl)-2-methoxyacetate
CID 13133991
(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
(3R)-3-(1H-indol-3-yl)-4-methylpentanamide
CID 98241929
tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate
CID 102157867
ethyl 3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate
CID 4527747
2-amino-2-(1H-indol-3-yl)acetyl chloride
CID 88673710
1-(1H-indol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 112743003

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate?
The IUPAC name of [(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate (CID 68918965) is [(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate.
What is the SMILES notation for [(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate?
The canonical SMILES for [(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate is Cc1csc(C(OC(N)=O)[C@H](c2c[nH]c3ccccc23)C(C)(C)C)n1.
What is the InChIKey of [(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate?
The InChIKey is NUVSCLMBJJAVFR-VYRBHSGPSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-11-10-25-17(22-11)16(24-18(20)23)15(19(2,3)4)13-9-21-14-8-6-5-7-12(13)14/h5-10,15-16,21H,1-4H3,(H2,20,23)/t15-,16?/m0/s1.
What are the key properties of [(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate?
[(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate has a molecular weight of 357.48 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1H-indol-3-yl)-3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)butyl] carbamate is sourced from PubChem (CID 68918965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).