tert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane

C18H27N3O2S — CID 156752068

IUPACtert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane
SMILESC.Cc1ccc(NC(=O)OC(C)(C)C)cc1CCc1cnc(N)s1
InChIInChI=1S/C17H23N3O2S.CH4/c1-11-5-7-13(20-16(21)22-17(2,3)4)9-12(11)6-8-14-10-19-15(18)23-14;/h5,7,9-10H,6,8H2,1-4H3,(H2,18,19)(H,20,21);1H4
InChIKeyPFSRSUSMCGEPIV-UHFFFAOYSA-N
MW349.50 g/mol
LogP4.80
Rot. Bonds4

About tert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane

tert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane (PubChem CID 156752068) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane
PubChem CID156752068
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Nametert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane
SMILESC.Cc1ccc(NC(=O)OC(C)(C)C)cc1CCc1cnc(N)s1
InChIInChI=1S/C17H23N3O2S.CH4/c1-11-5-7-13(20-16(21)22-17(2,3)4)9-12(11)6-8-14-10-19-15(18)23-14;/h5,7,9-10H,6,8H2,1-4H3,(H2,18,19)(H,20,21);1H4
InChIKeyPFSRSUSMCGEPIV-UHFFFAOYSA-N
XLogP4.80
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(hydroxymethyl)-4-methylphenyl]carbamate
CID 58614987
tert-butyl N-(3-amino-4-methylphenyl)carbamate;hydrobromide
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tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-(5-propyl-1,3-thiazol-2-yl)carbamate;5-propyl-1,3-thiazol-2-amine;hydrobromide
CID 157072375
tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate
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tert-butyl N-[3-[[tert-butyl(ethyl)amino]methyl]-4-methylphenyl]carbamate
CID 163754261
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
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tert-butyl N-[3-[2-[1-tert-butyl-5-[[N-[(Z)-prop-1-enyl]-C-prop-1-en-2-ylcarbonimidoyl]amino]pyrazol-3-yl]ethyl]-4-methylphenyl]carbamate
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tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate
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tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate
CID 103823852
tert-butyl N-[4-[[5-(nitrosomethyl)-1,3-thiazol-2-yl]oxy]phenyl]carbamate
CID 90741671
tert-butyl N-(3-isocyanato-4-methylphenyl)carbamate
CID 71331875
tert-butyl N-(3-bromo-4-methylphenyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane?
The IUPAC name of tert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane (CID 156752068) is tert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane.
What is the SMILES notation for tert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane?
The canonical SMILES for tert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane is C.Cc1ccc(NC(=O)OC(C)(C)C)cc1CCc1cnc(N)s1.
What is the InChIKey of tert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane?
The InChIKey is PFSRSUSMCGEPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.CH4/c1-11-5-7-13(20-16(21)22-17(2,3)4)9-12(11)6-8-14-10-19-15(18)23-14;/h5,7,9-10H,6,8H2,1-4H3,(H2,18,19)(H,20,21);1H4.
What are the key properties of tert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane?
tert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane has a molecular weight of 349.50 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-methylphenyl]carbamate;methane is sourced from PubChem (CID 156752068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).