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

C19H19FN6O3S — CID 130221844

IUPAC(4-methylpyrimidin-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
SMILESCc1ncncc1OC(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C19H19FN6O3S/c1-12-16(8-21-11-23-12)29-19(28)26(2)9-15-10-30-18(24-15)25-17(27)22-7-13-4-3-5-14(20)6-13/h3-6,8,10-11H,7,9H2,1-2H3,(H2,22,24,25,27)
InChIKeyJQRLLOGOMRSZCJ-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.33
Rot. Bonds6

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

(4-methylpyrimidin-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate (PubChem CID 130221844) has the molecular formula C19H19FN6O3S and a molecular weight of 430.47 g/mol. Its IUPAC name is (4-methylpyrimidin-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Name(4-methylpyrimidin-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
PubChem CID130221844
Molecular FormulaC19H19FN6O3S
Molecular Weight430.47 g/mol
Exact Mass430.12
IUPAC Name(4-methylpyrimidin-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
SMILESCc1ncncc1OC(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C19H19FN6O3S/c1-12-16(8-21-11-23-12)29-19(28)26(2)9-15-10-30-18(24-15)25-17(27)22-7-13-4-3-5-14(20)6-13/h3-6,8,10-11H,7,9H2,1-2H3,(H2,22,24,25,27)
InChIKeyJQRLLOGOMRSZCJ-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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Related Compounds

Tert-butyl 4-[[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
CID 15604243
3-[5-[2-(4-Fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 67347097
3-[5-[2-(4-Fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one
CID 67347403
[2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazol-4-yl] N-(4-fluoro-3-methylphenyl)carbamate
CID 68406361
Tert-butyl 4-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 69577282
Tert-butyl 4-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 69577349
Tert-butyl 4-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 69579186
[2-(Dimethylamino)pyrimidin-5-yl]-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methanesulfinate
CID 90979118
(4-methyl-1,3-thiazol-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
CID 130221484
[2-(dimethylamino)-6-methylpyrimidin-4-yl] N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
CID 130221491
(3-methylpyrazin-2-yl) N-[[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
CID 130221905
(1-ethyl-3-methylpyrazol-4-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
CID 130221919

Frequently Asked Questions

What is the IUPAC name of (4-methylpyrimidin-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The IUPAC name of (4-methylpyrimidin-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate (CID 130221844) is (4-methylpyrimidin-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for (4-methylpyrimidin-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The canonical SMILES for (4-methylpyrimidin-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate is Cc1ncncc1OC(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of (4-methylpyrimidin-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The InChIKey is JQRLLOGOMRSZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O3S/c1-12-16(8-21-11-23-12)29-19(28)26(2)9-15-10-30-18(24-15)25-17(27)22-7-13-4-3-5-14(20)6-13/h3-6,8,10-11H,7,9H2,1-2H3,(H2,22,24,25,27).
What are the key properties of (4-methylpyrimidin-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
(4-methylpyrimidin-5-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-methylpyrimidin-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 130221844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).