tert-butyl N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate

C12H18N2O3S — CID 165465370

IUPACtert-butyl N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate
SMILESCc1nc(C(=O)CN(C)C(=O)OC(C)(C)C)cs1
InChIInChI=1S/C12H18N2O3S/c1-8-13-9(7-18-8)10(15)6-14(5)11(16)17-12(2,3)4/h7H,6H2,1-5H3
InChIKeyBUMCSBQOEOPOJK-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.50
Rot. Bonds3

About tert-butyl N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate

tert-butyl N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate (PubChem CID 165465370) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate
PubChem CID165465370
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nametert-butyl N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate
SMILESCc1nc(C(=O)CN(C)C(=O)OC(C)(C)C)cs1
InChIInChI=1S/C12H18N2O3S/c1-8-13-9(7-18-8)10(15)6-14(5)11(16)17-12(2,3)4/h7H,6H2,1-5H3
InChIKeyBUMCSBQOEOPOJK-UHFFFAOYSA-N
XLogP2.50
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropyl]carbamate
CID 165465018
tert-butyl N-methyl-N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate
CID 165471309
methyl 3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropanoate
CID 82658265
tert-butyl N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-N-methylcarbamate
CID 54249713
2,2-difluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 131182360
(2Z)-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]imino-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
CID 135193920
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
tert-butyl N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcarbamate
CID 130300245
3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropanenitrile
CID 82414227
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
CID 151880346
tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
CID 91462214

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate (CID 165465370) is tert-butyl N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate is Cc1nc(C(=O)CN(C)C(=O)OC(C)(C)C)cs1.
What is the InChIKey of tert-butyl N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate?
The InChIKey is BUMCSBQOEOPOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-13-9(7-18-8)10(15)6-14(5)11(16)17-12(2,3)4/h7H,6H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate?
tert-butyl N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate has a molecular weight of 270.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 165465370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).