N-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide

C18H17N3O2S — CID 124877056

IUPACN-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide
SMILESC[C@H](O)c1ncc(C(=O)Nc2cccc(Nc3ccccc3)c2)s1
InChIInChI=1S/C18H17N3O2S/c1-12(22)18-19-11-16(24-18)17(23)21-15-9-5-8-14(10-15)20-13-6-3-2-4-7-13/h2-12,20,22H,1H3,(H,21,23)/t12-/m0/s1
InChIKeyILBSJTZTJDPWJG-LBPRGKRZSA-N
MW339.42 g/mol
LogP4.19
Rot. Bonds5

About N-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide

N-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide (PubChem CID 124877056) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide
PubChem CID124877056
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide
SMILESC[C@H](O)c1ncc(C(=O)Nc2cccc(Nc3ccccc3)c2)s1
InChIInChI=1S/C18H17N3O2S/c1-12(22)18-19-11-16(24-18)17(23)21-15-9-5-8-14(10-15)20-13-6-3-2-4-7-13/h2-12,20,22H,1H3,(H,21,23)/t12-/m0/s1
InChIKeyILBSJTZTJDPWJG-LBPRGKRZSA-N
XLogP4.19
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide (CID 124877056) is N-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide is C[C@H](O)c1ncc(C(=O)Nc2cccc(Nc3ccccc3)c2)s1.
What is the InChIKey of N-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ILBSJTZTJDPWJG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12(22)18-19-11-16(24-18)17(23)21-15-9-5-8-14(10-15)20-13-6-3-2-4-7-13/h2-12,20,22H,1H3,(H,21,23)/t12-/m0/s1.
What are the key properties of N-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide?
N-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 124877056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).