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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Related Compounds

1-[1-(2,2-Difluoroethyl)pyrazol-3-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75477550
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97305938
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97305939
N,1-dimethyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]pyrazol-3-amine
CID 166305852
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-enamide
CID 166415639
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-enamide
CID 166415640
tert-butyl N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(1-methylpyrazol-3-yl)carbamate
CID 138687590
Tert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 145069003
N-(1-Propan-2-ylpyrazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 154879501
N-[[2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-N-(1-propan-2-ylpyrazol-3-yl)prop-2-enamide
CID 166423726

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).