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

C17H17FN6O3S2 — CID 130221949

IUPAC(3-methylpyrazin-2-yl) N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
SMILESCc1nccnc1OC(=O)N(C)Cc1csc(NC(=O)NCc2ccc(F)s2)n1
InChIInChI=1S/C17H17FN6O3S2/c1-10-14(20-6-5-19-10)27-17(26)24(2)8-11-9-28-16(22-11)23-15(25)21-7-12-3-4-13(18)29-12/h3-6,9H,7-8H2,1-2H3,(H2,21,22,23,25)
InChIKeyYGPIPRWMPNBLIB-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.39
Rot. Bonds6

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

(3-methylpyrazin-2-yl) N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate (PubChem CID 130221949) has the molecular formula C17H17FN6O3S2 and a molecular weight of 436.49 g/mol. Its IUPAC name is (3-methylpyrazin-2-yl) N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Name(3-methylpyrazin-2-yl) N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
PubChem CID130221949
Molecular FormulaC17H17FN6O3S2
Molecular Weight436.49 g/mol
Exact Mass436.08
IUPAC Name(3-methylpyrazin-2-yl) N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
SMILESCc1nccnc1OC(=O)N(C)Cc1csc(NC(=O)NCc2ccc(F)s2)n1
InChIInChI=1S/C17H17FN6O3S2/c1-10-14(20-6-5-19-10)27-17(26)24(2)8-11-9-28-16(22-11)23-15(25)21-7-12-3-4-13(18)29-12/h3-6,9H,7-8H2,1-2H3,(H2,21,22,23,25)
InChIKeyYGPIPRWMPNBLIB-UHFFFAOYSA-N
XLogP3.39
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3-methylpyrazin-2-yl) N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The IUPAC name of (3-methylpyrazin-2-yl) N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate (CID 130221949) is (3-methylpyrazin-2-yl) N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for (3-methylpyrazin-2-yl) N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The canonical SMILES for (3-methylpyrazin-2-yl) N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate is Cc1nccnc1OC(=O)N(C)Cc1csc(NC(=O)NCc2ccc(F)s2)n1.
What is the InChIKey of (3-methylpyrazin-2-yl) N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The InChIKey is YGPIPRWMPNBLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O3S2/c1-10-14(20-6-5-19-10)27-17(26)24(2)8-11-9-28-16(22-11)23-15(25)21-7-12-3-4-13(18)29-12/h3-6,9H,7-8H2,1-2H3,(H2,21,22,23,25).
What are the key properties of (3-methylpyrazin-2-yl) N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
(3-methylpyrazin-2-yl) N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate has a molecular weight of 436.49 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrazin-2-yl) N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 130221949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).