tert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate

C9H14N2O2S — CID 23088785

IUPACtert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1nccs1
InChIInChI=1S/C9H14N2O2S/c1-9(2,3)13-8(12)11-6-7-10-4-5-14-7/h4-5H,6H2,1-3H3,(H,11,12)
InChIKeyLPVMUQICXQOGRE-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.17
Rot. Bonds2

About tert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate

tert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate (PubChem CID 23088785) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is tert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate
PubChem CID23088785
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nametert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1nccs1
InChIInChI=1S/C9H14N2O2S/c1-9(2,3)13-8(12)11-6-7-10-4-5-14-7/h4-5H,6H2,1-3H3,(H,11,12)
InChIKeyLPVMUQICXQOGRE-UHFFFAOYSA-N
XLogP2.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate
CID 46911876
tert-butyl N-(1,3-thiazol-5-yl)carbamate
CID 53432624
tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate
CID 58874065
(s)-(-)-N-(t-butoxycarbonyl)-1-(2-thiazolyl)-2-methylpropylamine
CID 10956191
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
Ethyl [2,2'-bithiazole]-3(2H)-carboxylate
CID 13032472
tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate
CID 91301086
tert-Butyl (2-(trifluoromethyl)thiazol-5-yl)carbamate
CID 92045600
2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate
CID 61066991
2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate
CID 63597934
tert-butyl N-[2,2-difluoro-3-(1,3-thiazol-2-ylmethylamino)propyl]carbamate
CID 104954069

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate (CID 23088785) is tert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate is CC(C)(C)OC(=O)NCc1nccs1.
What is the InChIKey of tert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate?
The InChIKey is LPVMUQICXQOGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-9(2,3)13-8(12)11-6-7-10-4-5-14-7/h4-5H,6H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate?
tert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate has a molecular weight of 214.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3-thiazol-2-ylmethyl)carbamate is sourced from PubChem (CID 23088785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).