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

C14H15F3N4O2S — CID 131998562

IUPACtert-butyl N-methyl-N-[2-pyrimidin-5-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)c1sc(-c2cncnc2)nc1C(F)(F)F
InChIInChI=1S/C14H15F3N4O2S/c1-13(2,3)23-12(22)21(4)11-9(14(15,16)17)20-10(24-11)8-5-18-7-19-6-8/h5-7H,1-4H3
InChIKeyCRAAXSLAAXCWKZ-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.99
Rot. Bonds2

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

tert-butyl N-methyl-N-[2-pyrimidin-5-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbamate (PubChem CID 131998562) has the molecular formula C14H15F3N4O2S and a molecular weight of 360.36 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-pyrimidin-5-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-pyrimidin-5-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbamate
PubChem CID131998562
Molecular FormulaC14H15F3N4O2S
Molecular Weight360.36 g/mol
Exact Mass360.09
IUPAC Nametert-butyl N-methyl-N-[2-pyrimidin-5-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)c1sc(-c2cncnc2)nc1C(F)(F)F
InChIInChI=1S/C14H15F3N4O2S/c1-13(2,3)23-12(22)21(4)11-9(14(15,16)17)20-10(24-11)8-5-18-7-19-6-8/h5-7H,1-4H3
InChIKeyCRAAXSLAAXCWKZ-UHFFFAOYSA-N
XLogP3.99
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-pyrimidin-5-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-pyrimidin-5-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbamate (CID 131998562) is tert-butyl N-methyl-N-[2-pyrimidin-5-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-pyrimidin-5-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-pyrimidin-5-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbamate is CN(C(=O)OC(C)(C)C)c1sc(-c2cncnc2)nc1C(F)(F)F.
What is the InChIKey of tert-butyl N-methyl-N-[2-pyrimidin-5-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbamate?
The InChIKey is CRAAXSLAAXCWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2S/c1-13(2,3)23-12(22)21(4)11-9(14(15,16)17)20-10(24-11)8-5-18-7-19-6-8/h5-7H,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[2-pyrimidin-5-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbamate?
tert-butyl N-methyl-N-[2-pyrimidin-5-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbamate has a molecular weight of 360.36 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-pyrimidin-5-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 131998562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).