tert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate

C15H17N3O3S — CID 87282091

IUPACtert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(-c2ccccc2C(N)=O)s1
InChIInChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)18-13-17-8-11(22-13)9-6-4-5-7-10(9)12(16)19/h4-8H,1-3H3,(H2,16,19)(H,17,18,20)
InChIKeyQTGFVVQRESXXEY-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.26
Rot. Bonds3

About tert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate

tert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 87282091) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is tert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate
PubChem CID87282091
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Nametert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(-c2ccccc2C(N)=O)s1
InChIInChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)18-13-17-8-11(22-13)9-6-4-5-7-10(9)12(16)19/h4-8H,1-3H3,(H2,16,19)(H,17,18,20)
InChIKeyQTGFVVQRESXXEY-UHFFFAOYSA-N
XLogP3.26
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate
CID 87282022
2-(2-phenyl-1,3-thiazol-5-yl)benzamide
CID 174783115
tert-butyl N-(5-carbonochloridoyl-1,3-thiazol-2-yl)carbamate
CID 45117870
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]propanedioic acid
CID 22036048
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetate
CID 22349665
tert-butyl N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]carbamate
CID 118106608
tert-butyl N-[5-(1,2-dihydroxy-4-sulfanylbutyl)-1,3-thiazol-2-yl]carbamate
CID 171875046
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]-2-oxoacetate
CID 53419366
3-ethoxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]-3-oxopropanoic acid
CID 86760124
tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate
CID 141395789
tert-butyl N-[2-(5-bromo-2-carbamoyl-3-pyridinyl)phenyl]carbamate
CID 69363019
ethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate
CID 178130924

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate (CID 87282091) is tert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1ncc(-c2ccccc2C(N)=O)s1.
What is the InChIKey of tert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is QTGFVVQRESXXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)18-13-17-8-11(22-13)9-6-4-5-7-10(9)12(16)19/h4-8H,1-3H3,(H2,16,19)(H,17,18,20).
What are the key properties of tert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 319.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 87282091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).