[5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate

C15H12FN5O3S2 — CID 16659653

IUPAC[5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate
SMILESCNC(=O)Oc1nnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)s1
InChIInChI=1S/C15H12FN5O3S2/c1-17-14(23)24-15-20-19-11(26-15)10-7-25-13(18-10)21(2)12(22)8-3-5-9(16)6-4-8/h3-7H,1-2H3,(H,17,23)
InChIKeyHUGSBONLEJZOIQ-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.80
Rot. Bonds4

About [5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate

[5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate (PubChem CID 16659653) has the molecular formula C15H12FN5O3S2 and a molecular weight of 393.43 g/mol. Its IUPAC name is [5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate.

Molecular Properties

Compound Name[5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate
PubChem CID16659653
Molecular FormulaC15H12FN5O3S2
Molecular Weight393.43 g/mol
Exact Mass393.04
IUPAC Name[5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate
SMILESCNC(=O)Oc1nnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)s1
InChIInChI=1S/C15H12FN5O3S2/c1-17-14(23)24-15-20-19-11(26-15)10-7-25-13(18-10)21(2)12(22)8-3-5-9(16)6-4-8/h3-7H,1-2H3,(H,17,23)
InChIKeyHUGSBONLEJZOIQ-UHFFFAOYSA-N
XLogP2.80
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate with MolForge

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Related Compounds

4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 16661886
4-fluoro-N-methyl-N-[4-[6-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
CID 16660294
4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide
CID 24805186
N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide
CID 24803039
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-methylbenzamide
CID 1176039
4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide
CID 24805014
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 857450
4-fluoro-N-methyl-N-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
CID 16659975
N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861587
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide
CID 857526
4-fluoro-N-methyl-N-[4-(6-pyridin-3-yloxypyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide
CID 16660137
(2E)-2-ethylidenepyrrolidine;4-fluoro-N-methyl-N-[4-(6-oxo-1H-pyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide
CID 143430762

Frequently Asked Questions

What is the IUPAC name of [5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate?
The IUPAC name of [5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate (CID 16659653) is [5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate.
What is the SMILES notation for [5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate?
The canonical SMILES for [5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate is CNC(=O)Oc1nnc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)s1.
What is the InChIKey of [5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate?
The InChIKey is HUGSBONLEJZOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O3S2/c1-17-14(23)24-15-20-19-11(26-15)10-7-25-13(18-10)21(2)12(22)8-3-5-9(16)6-4-8/h3-7H,1-2H3,(H,17,23).
What are the key properties of [5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate?
[5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate has a molecular weight of 393.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate is sourced from PubChem (CID 16659653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).