thiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate

C16H15FN6O3S2 — CID 130221863

IUPACthiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
SMILESCN(Cc1csc(NC(=O)NCc2cccc(F)c2)n1)C(=O)Oc1csnn1
InChIInChI=1S/C16H15FN6O3S2/c1-23(16(25)26-13-9-28-22-21-13)7-12-8-27-15(19-12)20-14(24)18-6-10-3-2-4-11(17)5-10/h2-5,8-9H,6-7H2,1H3,(H2,18,19,20,24)
InChIKeyPVIWZAMHTTYRNS-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.09
Rot. Bonds6

About thiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate

thiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate (PubChem CID 130221863) has the molecular formula C16H15FN6O3S2 and a molecular weight of 422.47 g/mol. Its IUPAC name is thiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Namethiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
PubChem CID130221863
Molecular FormulaC16H15FN6O3S2
Molecular Weight422.47 g/mol
Exact Mass422.06
IUPAC Namethiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
SMILESCN(Cc1csc(NC(=O)NCc2cccc(F)c2)n1)C(=O)Oc1csnn1
InChIInChI=1S/C16H15FN6O3S2/c1-23(16(25)26-13-9-28-22-21-13)7-12-8-27-15(19-12)20-14(24)18-6-10-3-2-4-11(17)5-10/h2-5,8-9H,6-7H2,1H3,(H2,18,19,20,24)
InChIKeyPVIWZAMHTTYRNS-UHFFFAOYSA-N
XLogP3.09
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of thiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The IUPAC name of thiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate (CID 130221863) is thiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for thiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The canonical SMILES for thiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate is CN(Cc1csc(NC(=O)NCc2cccc(F)c2)n1)C(=O)Oc1csnn1.
What is the InChIKey of thiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The InChIKey is PVIWZAMHTTYRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O3S2/c1-23(16(25)26-13-9-28-22-21-13)7-12-8-27-15(19-12)20-14(24)18-6-10-3-2-4-11(17)5-10/h2-5,8-9H,6-7H2,1H3,(H2,18,19,20,24).
What are the key properties of thiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
thiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate has a molecular weight of 422.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazol-4-yl N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 130221863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).