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

C18H18FN5O3S2 — CID 130221484

IUPAC(4-methyl-1,3-thiazol-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
SMILESCc1ncsc1OC(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C18H18FN5O3S2/c1-11-15(29-10-21-11)27-18(26)24(2)8-14-9-28-17(22-14)23-16(25)20-7-12-4-3-5-13(19)6-12/h3-6,9-10H,7-8H2,1-2H3,(H2,20,22,23,25)
InChIKeyQCPCAARYDHOFAB-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.00
Rot. Bonds6

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

(4-methyl-1,3-thiazol-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate (PubChem CID 130221484) has the molecular formula C18H18FN5O3S2 and a molecular weight of 435.51 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
PubChem CID130221484
Molecular FormulaC18H18FN5O3S2
Molecular Weight435.51 g/mol
Exact Mass435.08
IUPAC Name(4-methyl-1,3-thiazol-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
SMILESCc1ncsc1OC(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C18H18FN5O3S2/c1-11-15(29-10-21-11)27-18(26)24(2)8-14-9-28-17(22-14)23-16(25)20-7-12-4-3-5-13(19)6-12/h3-6,9-10H,7-8H2,1-2H3,(H2,20,22,23,25)
InChIKeyQCPCAARYDHOFAB-UHFFFAOYSA-N
XLogP4.00
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate (CID 130221484) is (4-methyl-1,3-thiazol-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate is Cc1ncsc1OC(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
The InChIKey is QCPCAARYDHOFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3S2/c1-11-15(29-10-21-11)27-18(26)24(2)8-14-9-28-17(22-14)23-16(25)20-7-12-4-3-5-13(19)6-12/h3-6,9-10H,7-8H2,1-2H3,(H2,20,22,23,25).
What are the key properties of (4-methyl-1,3-thiazol-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate?
(4-methyl-1,3-thiazol-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate has a molecular weight of 435.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl) N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 130221484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).