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

C9H12F2N2O2S — CID 45117843

IUPACtert-butyl N-[4-(difluoromethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C(F)F)cs1
InChIInChI=1S/C9H12F2N2O2S/c1-9(2,3)15-8(14)13-7-12-5(4-16-7)6(10)11/h4,6H,1-3H3,(H,12,13,14)
InChIKeyYQYPCZYHSSWKET-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.43
Rot. Bonds2

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

tert-butyl N-[4-(difluoromethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 45117843) has the molecular formula C9H12F2N2O2S and a molecular weight of 250.27 g/mol. Its IUPAC name is tert-butyl N-[4-(difluoromethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(difluoromethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID45117843
Molecular FormulaC9H12F2N2O2S
Molecular Weight250.27 g/mol
Exact Mass250.06
IUPAC Nametert-butyl N-[4-(difluoromethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C(F)F)cs1
InChIInChI=1S/C9H12F2N2O2S/c1-9(2,3)15-8(14)13-7-12-5(4-16-7)6(10)11/h4,6H,1-3H3,(H,12,13,14)
InChIKeyYQYPCZYHSSWKET-UHFFFAOYSA-N
XLogP3.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1229693
(4-Hydroxymethylthiazol-2-yl)carbamic acid tert-butyl ester
CID 22280475
tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 45117839
Tert-butyl (4-(aminomethyl)thiazol-2-yl)carbamate
CID 53397224
2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 50989389
Methyl 3-[2-(2-[2,2,2-trifluoroethyl]guanidino)thiazol-4-ylmethylthio]propionate
CID 20202856
Tert-butyl (5-fluoro-4-methylthiazol-2-yl)carbamate
CID 45117835
tert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate
CID 45117864
t-Butyl [4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 59570990
2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 59634285
[4-(Fluoromethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87536540
[4-(Trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87545584

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(difluoromethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(difluoromethyl)-1,3-thiazol-2-yl]carbamate (CID 45117843) is tert-butyl N-[4-(difluoromethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(difluoromethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(difluoromethyl)-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(C(F)F)cs1.
What is the InChIKey of tert-butyl N-[4-(difluoromethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is YQYPCZYHSSWKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2S/c1-9(2,3)15-8(14)13-7-12-5(4-16-7)6(10)11/h4,6H,1-3H3,(H,12,13,14).
What are the key properties of tert-butyl N-[4-(difluoromethyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-(difluoromethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 250.27 g/mol, XLogP of 3.43, 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)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 45117843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).