[3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate

C16H16FN3O3S — CID 175097595

IUPAC[3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate
SMILESCC(C)(C)c1c(Oc2nc(CC#N)cs2)ccc(OC(N)=O)c1F
InChIInChI=1S/C16H16FN3O3S/c1-16(2,3)12-10(4-5-11(13(12)17)22-14(19)21)23-15-20-9(6-7-18)8-24-15/h4-5,8H,6H2,1-3H3,(H2,19,21)
InChIKeyBSZNMKCXPVTNON-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.90
Rot. Bonds4

About [3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate

[3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate (PubChem CID 175097595) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is [3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate.

Molecular Properties

Compound Name[3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate
PubChem CID175097595
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name[3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate
SMILESCC(C)(C)c1c(Oc2nc(CC#N)cs2)ccc(OC(N)=O)c1F
InChIInChI=1S/C16H16FN3O3S/c1-16(2,3)12-10(4-5-11(13(12)17)22-14(19)21)23-15-20-9(6-7-18)8-24-15/h4-5,8H,6H2,1-3H3,(H2,19,21)
InChIKeyBSZNMKCXPVTNON-UHFFFAOYSA-N
XLogP3.90
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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[3-tert-butyl-4-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate
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[4-(2-propan-2-yloxypropan-2-yl)-1,3-thiazol-2-yl] carbamate
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(5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate
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2-[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]acetonitrile
CID 65138254
2-[2-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-4-yl]acetonitrile
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Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate?
The IUPAC name of [3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate (CID 175097595) is [3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate.
What is the SMILES notation for [3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate?
The canonical SMILES for [3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate is CC(C)(C)c1c(Oc2nc(CC#N)cs2)ccc(OC(N)=O)c1F.
What is the InChIKey of [3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate?
The InChIKey is BSZNMKCXPVTNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-16(2,3)12-10(4-5-11(13(12)17)22-14(19)21)23-15-20-9(6-7-18)8-24-15/h4-5,8H,6H2,1-3H3,(H2,19,21).
What are the key properties of [3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate?
[3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate has a molecular weight of 349.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-4-[[4-(cyanomethyl)-1,3-thiazol-2-yl]oxy]-2-fluorophenyl] carbamate is sourced from PubChem (CID 175097595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).