N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide

C19H16FN3O2S — CID 84555777

IUPACN-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Cc1ccccc1)Nc1nc(C(=O)NCc2ccc(F)cc2)cs1
InChIInChI=1S/C19H16FN3O2S/c20-15-8-6-14(7-9-15)11-21-18(25)16-12-26-19(22-16)23-17(24)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,25)(H,22,23,24)
InChIKeyACUHIJHWDAZJSV-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.39
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 84555777) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID84555777
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Cc1ccccc1)Nc1nc(C(=O)NCc2ccc(F)cc2)cs1
InChIInChI=1S/C19H16FN3O2S/c20-15-8-6-14(7-9-15)11-21-18(25)16-12-26-19(22-16)23-17(24)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,25)(H,22,23,24)
InChIKeyACUHIJHWDAZJSV-UHFFFAOYSA-N
XLogP3.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555759
N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 3983544
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 84550859
2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46114059
2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 18322900
N-(2-bromophenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550682

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide (CID 84555777) is N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide is O=C(Cc1ccccc1)Nc1nc(C(=O)NCc2ccc(F)cc2)cs1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is ACUHIJHWDAZJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c20-15-8-6-14(7-9-15)11-21-18(25)16-12-26-19(22-16)23-17(24)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,25)(H,22,23,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84555777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).