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

C14H22N2O4S — CID 169228382

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1csc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H22N2O4S/c1-9-8-21-10(15-9)16(11(17)19-13(2,3)4)12(18)20-14(5,6)7/h8H,1-7H3
InChIKeyNWWYYHQNRBSCRU-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.13
Rot. Bonds1

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

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)carbamate (PubChem CID 169228382) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)carbamate
PubChem CID169228382
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1csc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H22N2O4S/c1-9-8-21-10(15-9)16(11(17)19-13(2,3)4)12(18)20-14(5,6)7/h8H,1-7H3
InChIKeyNWWYYHQNRBSCRU-UHFFFAOYSA-N
XLogP4.13
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)carbamate (CID 169228382) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)carbamate is Cc1csc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is NWWYYHQNRBSCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-9-8-21-10(15-9)16(11(17)19-13(2,3)4)12(18)20-14(5,6)7/h8H,1-7H3.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 314.41 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 169228382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).