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

C9H12F2N2O2S — CID 174655842

IUPAC[4-(difluoromethyl)-1,3-thiazol-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1nc(C(F)F)cs1
InChIInChI=1S/C9H12F2N2O2S/c1-9(2,3)13-7(14)15-8-12-5(4-16-8)6(10)11/h4,6H,1-3H3,(H,13,14)
InChIKeyREXNCXHBNQBQPP-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.97
Rot. Bonds2

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

[4-(difluoromethyl)-1,3-thiazol-2-yl] N-tert-butylcarbamate (PubChem CID 174655842) has the molecular formula C9H12F2N2O2S and a molecular weight of 250.27 g/mol. Its IUPAC name is [4-(difluoromethyl)-1,3-thiazol-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-(difluoromethyl)-1,3-thiazol-2-yl] N-tert-butylcarbamate
PubChem CID174655842
Molecular FormulaC9H12F2N2O2S
Molecular Weight250.27 g/mol
Exact Mass250.06
IUPAC Name[4-(difluoromethyl)-1,3-thiazol-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1nc(C(F)F)cs1
InChIInChI=1S/C9H12F2N2O2S/c1-9(2,3)13-7(14)15-8-12-5(4-16-8)6(10)11/h4,6H,1-3H3,(H,13,14)
InChIKeyREXNCXHBNQBQPP-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-1,3-thiazol-2-yl] N-tert-butylcarbamate?
The IUPAC name of [4-(difluoromethyl)-1,3-thiazol-2-yl] N-tert-butylcarbamate (CID 174655842) is [4-(difluoromethyl)-1,3-thiazol-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [4-(difluoromethyl)-1,3-thiazol-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [4-(difluoromethyl)-1,3-thiazol-2-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1nc(C(F)F)cs1.
What is the InChIKey of [4-(difluoromethyl)-1,3-thiazol-2-yl] N-tert-butylcarbamate?
The InChIKey is REXNCXHBNQBQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2S/c1-9(2,3)13-7(14)15-8-12-5(4-16-8)6(10)11/h4,6H,1-3H3,(H,13,14).
What are the key properties of [4-(difluoromethyl)-1,3-thiazol-2-yl] N-tert-butylcarbamate?
[4-(difluoromethyl)-1,3-thiazol-2-yl] N-tert-butylcarbamate has a molecular weight of 250.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-1,3-thiazol-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 174655842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).