tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate

C10H14F2N2O2S — CID 151355104

IUPACtert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate
SMILESCc1sc(NC(=O)OC(C)(C)C)nc1C(F)F
InChIInChI=1S/C10H14F2N2O2S/c1-5-6(7(11)12)13-8(17-5)14-9(15)16-10(2,3)4/h7H,1-4H3,(H,13,14,15)
InChIKeyONHVRRYCKLRJNO-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.74
Rot. Bonds2

About tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate (PubChem CID 151355104) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate
PubChem CID151355104
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Nametert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate
SMILESCc1sc(NC(=O)OC(C)(C)C)nc1C(F)F
InChIInChI=1S/C10H14F2N2O2S/c1-5-6(7(11)12)13-8(17-5)14-9(15)16-10(2,3)4/h7H,1-4H3,(H,13,14,15)
InChIKeyONHVRRYCKLRJNO-UHFFFAOYSA-N
XLogP3.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate (CID 151355104) is tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate is Cc1sc(NC(=O)OC(C)(C)C)nc1C(F)F.
What is the InChIKey of tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is ONHVRRYCKLRJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-5-6(7(11)12)13-8(17-5)14-9(15)16-10(2,3)4/h7H,1-4H3,(H,13,14,15).
What are the key properties of tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 264.30 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 151355104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).