(3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate

C19H18BrFN6O3S — CID 130221985

IUPAC(3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
SMILESCc1nccnc1OC(=O)N(C)Cc1nc(NC(=O)NCc2cccc(F)c2)sc1Br
InChIInChI=1S/C19H18BrFN6O3S/c1-11-16(23-7-6-22-11)30-19(29)27(2)10-14-15(20)31-18(25-14)26-17(28)24-9-12-4-3-5-13(21)8-12/h3-8H,9-10H2,1-2H3,(H2,24,25,26,28)
InChIKeyYKRLWBKHRFPSGD-UHFFFAOYSA-N
MW509.36 g/mol
LogP4.10
Rot. Bonds6

About (3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate

(3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate (PubChem CID 130221985) has the molecular formula C19H18BrFN6O3S and a molecular weight of 509.36 g/mol. Its IUPAC name is (3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Name(3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
PubChem CID130221985
Molecular FormulaC19H18BrFN6O3S
Molecular Weight509.36 g/mol
Exact Mass508.03
IUPAC Name(3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
SMILESCc1nccnc1OC(=O)N(C)Cc1nc(NC(=O)NCc2cccc(F)c2)sc1Br
InChIInChI=1S/C19H18BrFN6O3S/c1-11-16(23-7-6-22-11)30-19(29)27(2)10-14-15(20)31-18(25-14)26-17(28)24-9-12-4-3-5-13(21)8-12/h3-8H,9-10H2,1-2H3,(H2,24,25,26,28)
InChIKeyYKRLWBKHRFPSGD-UHFFFAOYSA-N
XLogP4.10
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.36
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The IUPAC name of (3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate (CID 130221985) is (3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for (3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The canonical SMILES for (3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate is Cc1nccnc1OC(=O)N(C)Cc1nc(NC(=O)NCc2cccc(F)c2)sc1Br.
What is the InChIKey of (3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The InChIKey is YKRLWBKHRFPSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN6O3S/c1-11-16(23-7-6-22-11)30-19(29)27(2)10-14-15(20)31-18(25-14)26-17(28)24-9-12-4-3-5-13(21)8-12/h3-8H,9-10H2,1-2H3,(H2,24,25,26,28).
What are the key properties of (3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
(3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate has a molecular weight of 509.36 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 130221985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).