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

C19H19FN6O3S — CID 130221520

IUPAC(4-methylpyridazin-3-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
SMILESCc1ccnnc1OC(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C19H19FN6O3S/c1-12-6-7-22-25-16(12)29-19(28)26(2)10-15-11-30-18(23-15)24-17(27)21-9-13-4-3-5-14(20)8-13/h3-8,11H,9-10H2,1-2H3,(H2,21,23,24,27)
InChIKeyALNCSIHNPQWHGN-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.33
Rot. Bonds6

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

(4-methylpyridazin-3-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate (PubChem CID 130221520) has the molecular formula C19H19FN6O3S and a molecular weight of 430.47 g/mol. Its IUPAC name is (4-methylpyridazin-3-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Name(4-methylpyridazin-3-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
PubChem CID130221520
Molecular FormulaC19H19FN6O3S
Molecular Weight430.47 g/mol
Exact Mass430.12
IUPAC Name(4-methylpyridazin-3-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
SMILESCc1ccnnc1OC(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C19H19FN6O3S/c1-12-6-7-22-25-16(12)29-19(28)26(2)10-15-11-30-18(23-15)24-17(27)21-9-13-4-3-5-14(20)8-13/h3-8,11H,9-10H2,1-2H3,(H2,21,23,24,27)
InChIKeyALNCSIHNPQWHGN-UHFFFAOYSA-N
XLogP3.33
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-methylpyridazin-3-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The IUPAC name of (4-methylpyridazin-3-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate (CID 130221520) is (4-methylpyridazin-3-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for (4-methylpyridazin-3-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The canonical SMILES for (4-methylpyridazin-3-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate is Cc1ccnnc1OC(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of (4-methylpyridazin-3-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The InChIKey is ALNCSIHNPQWHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O3S/c1-12-6-7-22-25-16(12)29-19(28)26(2)10-15-11-30-18(23-15)24-17(27)21-9-13-4-3-5-14(20)8-13/h3-8,11H,9-10H2,1-2H3,(H2,21,23,24,27).
What are the key properties of (4-methylpyridazin-3-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
(4-methylpyridazin-3-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate has a molecular weight of 430.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyridazin-3-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 130221520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).