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

C19H18ClFN6O3S — CID 130221905

IUPAC(3-methylpyrazin-2-yl) N-[[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
SMILESCc1nccnc1OC(=O)N(C)Cc1nc(NC(=O)NCc2cccc(F)c2)sc1Cl
InChIInChI=1S/C19H18ClFN6O3S/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)
InChIKeySSQQTCSOGDWLBQ-UHFFFAOYSA-N
MW464.91 g/mol
LogP3.99
Rot. Bonds6

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

(3-methylpyrazin-2-yl) N-[[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate (PubChem CID 130221905) has the molecular formula C19H18ClFN6O3S and a molecular weight of 464.91 g/mol. Its IUPAC name is (3-methylpyrazin-2-yl) N-[[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Name(3-methylpyrazin-2-yl) N-[[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
PubChem CID130221905
Molecular FormulaC19H18ClFN6O3S
Molecular Weight464.91 g/mol
Exact Mass464.08
IUPAC Name(3-methylpyrazin-2-yl) N-[[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
SMILESCc1nccnc1OC(=O)N(C)Cc1nc(NC(=O)NCc2cccc(F)c2)sc1Cl
InChIInChI=1S/C19H18ClFN6O3S/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)
InChIKeySSQQTCSOGDWLBQ-UHFFFAOYSA-N
XLogP3.99
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-Fluorobenzyl)-3-(4-((3-methylpyrazin-2-yloxy)methyl)thiazol-2-yl)urea
CID 25051526
[2-[(3-Fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]-(5-methoxypyrazin-2-yl)methanesulfinate
CID 91805136
(4-methyl-1,3-thiazol-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
CID 130221484
(4-methylpyrimidin-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
CID 130221844
(3-methylpyrazin-2-yl) N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
CID 130221949
(1,5-dimethyltriazol-4-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
CID 130221973
(3-methylpyrazin-2-yl) N-[[5-bromo-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
CID 130221985
(2,4-dimethylpyrimidin-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
CID 130222023
[2-[(3-Fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]-(5-methoxypyrazin-2-yl)methanesulfinic acid
CID 91805137
(3-methylpyrazin-2-yl) N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
CID 130221557
(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl) N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
CID 130222045

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrazin-2-yl) N-[[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The IUPAC name of (3-methylpyrazin-2-yl) N-[[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate (CID 130221905) is (3-methylpyrazin-2-yl) N-[[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for (3-methylpyrazin-2-yl) N-[[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The canonical SMILES for (3-methylpyrazin-2-yl) N-[[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate is Cc1nccnc1OC(=O)N(C)Cc1nc(NC(=O)NCc2cccc(F)c2)sc1Cl.
What is the InChIKey of (3-methylpyrazin-2-yl) N-[[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The InChIKey is SSQQTCSOGDWLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN6O3S/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-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
(3-methylpyrazin-2-yl) N-[[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate has a molecular weight of 464.91 g/mol, XLogP of 3.99, 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-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 130221905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).