[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid

C18H22N2O5S — CID 174167362

IUPAC[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
SMILESCc1ncsc1-c1ccc(C(COC(=O)OC(C)(C)C)NC(=O)O)cc1
InChIInChI=1S/C18H22N2O5S/c1-11-15(26-10-19-11)13-7-5-12(6-8-13)14(20-16(21)22)9-24-17(23)25-18(2,3)4/h5-8,10,14,20H,9H2,1-4H3,(H,21,22)
InChIKeyQYGYHBUJOFSYAI-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.38
Rot. Bonds5

About [2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid

[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid (PubChem CID 174167362) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
PubChem CID174167362
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
SMILESCc1ncsc1-c1ccc(C(COC(=O)OC(C)(C)C)NC(=O)O)cc1
InChIInChI=1S/C18H22N2O5S/c1-11-15(26-10-19-11)13-7-5-12(6-8-13)14(20-16(21)22)9-24-17(23)25-18(2,3)4/h5-8,10,14,20H,9H2,1-4H3,(H,21,22)
InChIKeyQYGYHBUJOFSYAI-UHFFFAOYSA-N
XLogP4.38
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid with MolForge

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Related Compounds

tert-butyl N-[(1R)-2-(3,3-dimethylbutoxy)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamate
CID 176629165
[(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
CID 174157567
tert-butyl N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-6-oxohexyl]carbamate
CID 171104855
tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate;(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 157458713
[2-(1,3-dioxoisoindol-2-yl)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
CID 138693509
[(3R)-3-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]hexyl] methanesulfonate
CID 176629212
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168909958
(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethane-1,1-diol
CID 178069167
[2-[[1-(2-acetamido-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl] 2-amino-3-methylbutanoate;ethane
CID 145262163
tert-butyl N-[2-[cyclobutyl(methyl)amino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]carbamate
CID 139530923
tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate
CID 168896471
2-hydroxy-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-phenylacetamide
CID 172551346

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid (CID 174167362) is [2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid is Cc1ncsc1-c1ccc(C(COC(=O)OC(C)(C)C)NC(=O)O)cc1.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid?
The InChIKey is QYGYHBUJOFSYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-11-15(26-10-19-11)13-7-5-12(6-8-13)14(20-16(21)22)9-24-17(23)25-18(2,3)4/h5-8,10,14,20H,9H2,1-4H3,(H,21,22).
What are the key properties of [2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid?
[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid has a molecular weight of 378.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid is sourced from PubChem (CID 174167362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).