2-amino-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide

C11H11ClFN3OS — CID 70830396

IUPAC2-amino-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESNC1=NCC(C(=O)NCc2cccc(F)c2Cl)S1
InChIInChI=1S/C11H11ClFN3OS/c12-9-6(2-1-3-7(9)13)4-15-10(17)8-5-16-11(14)18-8/h1-3,8H,4-5H2,(H2,14,16)(H,15,17)
InChIKeyOUIBMHNBYVXDJR-UHFFFAOYSA-N
MW287.75 g/mol
LogP1.53
Rot. Bonds3

About 2-amino-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide

2-amino-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide (PubChem CID 70830396) has the molecular formula C11H11ClFN3OS and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-amino-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide
PubChem CID70830396
Molecular FormulaC11H11ClFN3OS
Molecular Weight287.75 g/mol
Exact Mass287.03
IUPAC Name2-amino-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESNC1=NCC(C(=O)NCc2cccc(F)c2Cl)S1
InChIInChI=1S/C11H11ClFN3OS/c12-9-6(2-1-3-7(9)13)4-15-10(17)8-5-16-11(14)18-8/h1-3,8H,4-5H2,(H2,14,16)(H,15,17)
InChIKeyOUIBMHNBYVXDJR-UHFFFAOYSA-N
XLogP1.53
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide (CID 70830396) is 2-amino-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide is NC1=NCC(C(=O)NCc2cccc(F)c2Cl)S1.
What is the InChIKey of 2-amino-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide?
The InChIKey is OUIBMHNBYVXDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3OS/c12-9-6(2-1-3-7(9)13)4-15-10(17)8-5-16-11(14)18-8/h1-3,8H,4-5H2,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide?
2-amino-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide has a molecular weight of 287.75 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70830396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).