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

C9H14N2O3S — CID 86695276

IUPACtert-butyl N-[2-(hydroxymethyl)-1,3-thiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(CO)s1
InChIInChI=1S/C9H14N2O3S/c1-9(2,3)14-8(13)11-6-4-10-7(5-12)15-6/h4,12H,5H2,1-3H3,(H,11,13)
InChIKeyNZEOQUWJGKTXRQ-UHFFFAOYSA-N
MW230.29 g/mol
LogP1.98
Rot. Bonds2

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

tert-butyl N-[2-(hydroxymethyl)-1,3-thiazol-5-yl]carbamate (PubChem CID 86695276) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is tert-butyl N-[2-(hydroxymethyl)-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(hydroxymethyl)-1,3-thiazol-5-yl]carbamate
PubChem CID86695276
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Nametert-butyl N-[2-(hydroxymethyl)-1,3-thiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(CO)s1
InChIInChI=1S/C9H14N2O3S/c1-9(2,3)14-8(13)11-6-4-10-7(5-12)15-6/h4,12H,5H2,1-3H3,(H,11,13)
InChIKeyNZEOQUWJGKTXRQ-UHFFFAOYSA-N
XLogP1.98
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate
CID 46911876
Ethyl 5-{[(tert-butoxy)carbonyl]amino}-1,3-thiazole-2-carboxylate
CID 46942156
tert-butyl N-(1,3-thiazol-5-yl)carbamate
CID 53432624
tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate
CID 58874065
tert-butyl N-(2-chloro-1,3-thiazol-5-yl)carbamate
CID 71748574
tert-butyl N-(2-(propan-2-yl)-1,3-thiazol-5-yl)carbamate
CID 91647755
tert-Butyl (2-cyclopropylthiazol-5-yl)carbamate
CID 92133067
tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate
CID 154729526
tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate
CID 155822810
tert-Butyl (2-(trifluoromethyl)thiazol-5-yl)carbamate
CID 92045600
tert-butyl N-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1,3-thiazol-5-yl]carbamate
CID 20328445
methyl N-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1,3-thiazol-5-yl]carbamate
CID 20328607

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(hydroxymethyl)-1,3-thiazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(hydroxymethyl)-1,3-thiazol-5-yl]carbamate (CID 86695276) is tert-butyl N-[2-(hydroxymethyl)-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(hydroxymethyl)-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(hydroxymethyl)-1,3-thiazol-5-yl]carbamate is CC(C)(C)OC(=O)Nc1cnc(CO)s1.
What is the InChIKey of tert-butyl N-[2-(hydroxymethyl)-1,3-thiazol-5-yl]carbamate?
The InChIKey is NZEOQUWJGKTXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-9(2,3)14-8(13)11-6-4-10-7(5-12)15-6/h4,12H,5H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-[2-(hydroxymethyl)-1,3-thiazol-5-yl]carbamate?
tert-butyl N-[2-(hydroxymethyl)-1,3-thiazol-5-yl]carbamate has a molecular weight of 230.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(hydroxymethyl)-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 86695276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).