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

C19H20FN5O3S — CID 25206149

IUPACN-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C19H20FN5O3S/c1-11-16(12(2)28-24-11)17(26)25(3)9-15-10-29-19(22-15)23-18(27)21-8-13-5-4-6-14(20)7-13/h4-7,10H,8-9H2,1-3H3,(H2,21,22,23,27)
InChIKeyVTAXMDCWCQGKRN-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.48
Rot. Bonds6

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

N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide (PubChem CID 25206149) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
PubChem CID25206149
Molecular FormulaC19H20FN5O3S
Molecular Weight417.47 g/mol
Exact Mass417.13
IUPAC NameN-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C19H20FN5O3S/c1-11-16(12(2)28-24-11)17(26)25(3)9-15-10-29-19(22-15)23-18(27)21-8-13-5-4-6-14(20)7-13/h4-7,10H,8-9H2,1-3H3,(H2,21,22,23,27)
InChIKeyVTAXMDCWCQGKRN-UHFFFAOYSA-N
XLogP3.48
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide (CID 25206149) is N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is VTAXMDCWCQGKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3S/c1-11-16(12(2)28-24-11)17(26)25(3)9-15-10-29-19(22-15)23-18(27)21-8-13-5-4-6-14(20)7-13/h4-7,10H,8-9H2,1-3H3,(H2,21,22,23,27).
What are the key properties of N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25206149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).