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

C10H16N2O2S — CID 53493169

IUPACtert-butyl N-methyl-N-(1,3-thiazol-5-ylmethyl)carbamate
SMILESCN(Cc1cncs1)C(=O)OC(C)(C)C
InChIInChI=1S/C10H16N2O2S/c1-10(2,3)14-9(13)12(4)6-8-5-11-7-15-8/h5,7H,6H2,1-4H3
InChIKeyKFCYKFRSHHHYEW-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.51
Rot. Bonds2

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

tert-butyl N-methyl-N-(1,3-thiazol-5-ylmethyl)carbamate (PubChem CID 53493169) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1,3-thiazol-5-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1,3-thiazol-5-ylmethyl)carbamate
PubChem CID53493169
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Nametert-butyl N-methyl-N-(1,3-thiazol-5-ylmethyl)carbamate
SMILESCN(Cc1cncs1)C(=O)OC(C)(C)C
InChIInChI=1S/C10H16N2O2S/c1-10(2,3)14-9(13)12(4)6-8-5-11-7-15-8/h5,7H,6H2,1-4H3
InChIKeyKFCYKFRSHHHYEW-UHFFFAOYSA-N
XLogP2.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-((2-chloro-1,3-thiazol-5-yl)methyl)carbamate
CID 71758090
Tert-butyl ((2-bromothiazol-5-YL)methyl)carbamate
CID 74788497
tert-Butyl ((5-(aminomethyl)thiazol-2-yl)methyl)carbamate
CID 83671480
tert-Butyl 4-(methyl(thiazol-5-ylmethyl)amino)piperidine-1-carboxylate
CID 71647472
Tert-butyl 6-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 171533425
2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 61067669
tert-butyl N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 104953981
tert-butyl N-[2,2-difluoro-3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate
CID 104953985
tert-butyl N-[2,2-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate
CID 104954004
tert-Butyl ((2-(trifluoromethyl)thiazol-5-yl)methyl)carbamate
CID 133061414
tert-butyl N-amino-N-(1,3-thiazol-5-ylmethyl)carbamate
CID 19606182
tert-butyl N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(Z)-C-methylsulfanyl-N-nitrocarbonimidoyl]carbamate
CID 19786867

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1,3-thiazol-5-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1,3-thiazol-5-ylmethyl)carbamate (CID 53493169) is tert-butyl N-methyl-N-(1,3-thiazol-5-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1,3-thiazol-5-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1,3-thiazol-5-ylmethyl)carbamate is CN(Cc1cncs1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(1,3-thiazol-5-ylmethyl)carbamate?
The InChIKey is KFCYKFRSHHHYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-10(2,3)14-9(13)12(4)6-8-5-11-7-15-8/h5,7H,6H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(1,3-thiazol-5-ylmethyl)carbamate?
tert-butyl N-methyl-N-(1,3-thiazol-5-ylmethyl)carbamate has a molecular weight of 228.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1,3-thiazol-5-ylmethyl)carbamate is sourced from PubChem (CID 53493169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).