[4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone

C18H17N3OS — CID 71733211

IUPAC[4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESNc1nc(NCCc2ccccc2)sc1C(=O)c1ccccc1
InChIInChI=1S/C18H17N3OS/c19-17-16(15(22)14-9-5-2-6-10-14)23-18(21-17)20-12-11-13-7-3-1-4-8-13/h1-10H,11-12,19H2,(H,20,21)
InChIKeyKWDFURHLONLWRZ-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.61
Rot. Bonds6

About [4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone

[4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 71733211) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is [4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID71733211
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name[4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESNc1nc(NCCc2ccccc2)sc1C(=O)c1ccccc1
InChIInChI=1S/C18H17N3OS/c19-17-16(15(22)14-9-5-2-6-10-14)23-18(21-17)20-12-11-13-7-3-1-4-8-13/h1-10H,11-12,19H2,(H,20,21)
InChIKeyKWDFURHLONLWRZ-UHFFFAOYSA-N
XLogP3.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
4-amino-2-(benzylamino)-1,3-thiazole-5-carboxamide
CID 50741983
5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 106696786
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 50761385
[4-amino-2-(4-aminophenyl)-1,3-thiazol-5-yl]-phenylmethanone
CID 174473560
[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-pyridin-4-ylmethanone
CID 71662061
[4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 167436494
[3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone
CID 10110569
2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide
CID 156507445
4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 53365432
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone
CID 66553073

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone (CID 71733211) is [4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone is Nc1nc(NCCc2ccccc2)sc1C(=O)c1ccccc1.
What is the InChIKey of [4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is KWDFURHLONLWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c19-17-16(15(22)14-9-5-2-6-10-14)23-18(21-17)20-12-11-13-7-3-1-4-8-13/h1-10H,11-12,19H2,(H,20,21).
What are the key properties of [4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
[4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 323.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 71733211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).