tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate

C9H14N2O2S — CID 58874065

IUPACtert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate
SMILESCc1ncc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C9H14N2O2S/c1-6-10-5-7(14-6)11-8(12)13-9(2,3)4/h5H,1-4H3,(H,11,12)
InChIKeyLTEBHMFRYPZULH-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.80
Rot. Bonds1

About tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate

tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate (PubChem CID 58874065) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate
PubChem CID58874065
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nametert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate
SMILESCc1ncc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C9H14N2O2S/c1-6-10-5-7(14-6)11-8(12)13-9(2,3)4/h5H,1-4H3,(H,11,12)
InChIKeyLTEBHMFRYPZULH-UHFFFAOYSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-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
2-fluoro-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)propanamide
CID 130734894
Tert-butyl N-[3-(1,3-thiazol-2-yl)propyl]carbamate
CID 11665913
tert-butyl N-[chloro(1,3-thiazol-2-yl)methyl]carbamate
CID 19788479

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate (CID 58874065) is tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate is Cc1ncc(NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate?
The InChIKey is LTEBHMFRYPZULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6-10-5-7(14-6)11-8(12)13-9(2,3)4/h5H,1-4H3,(H,11,12).
What are the key properties of tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate?
tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate has a molecular weight of 214.29 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate is sourced from PubChem (CID 58874065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).