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

C14H17F3N4O2S — CID 139295156

IUPACtert-butyl N-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate
SMILESCn1ccc(N(Cc2cnc(C(F)(F)F)s2)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H17F3N4O2S/c1-13(2,3)23-12(22)21(10-5-6-20(4)19-10)8-9-7-18-11(24-9)14(15,16)17/h5-7H,8H2,1-4H3
InChIKeySUHJMLVOMCBSPE-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.84
Rot. Bonds3

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

tert-butyl N-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate (PubChem CID 139295156) has the molecular formula C14H17F3N4O2S and a molecular weight of 362.38 g/mol. Its IUPAC name is tert-butyl N-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate
PubChem CID139295156
Molecular FormulaC14H17F3N4O2S
Molecular Weight362.38 g/mol
Exact Mass362.10
IUPAC Nametert-butyl N-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate
SMILESCn1ccc(N(Cc2cnc(C(F)(F)F)s2)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H17F3N4O2S/c1-13(2,3)23-12(22)21(10-5-6-20(4)19-10)8-9-7-18-11(24-9)14(15,16)17/h5-7H,8H2,1-4H3
InChIKeySUHJMLVOMCBSPE-UHFFFAOYSA-N
XLogP3.84
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate (CID 139295156) is tert-butyl N-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate is Cn1ccc(N(Cc2cnc(C(F)(F)F)s2)C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate?
The InChIKey is SUHJMLVOMCBSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2S/c1-13(2,3)23-12(22)21(10-5-6-20(4)19-10)8-9-7-18-11(24-9)14(15,16)17/h5-7H,8H2,1-4H3.
What are the key properties of tert-butyl N-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate?
tert-butyl N-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate has a molecular weight of 362.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate is sourced from PubChem (CID 139295156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).