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

C16H12ClN3OS — CID 50761385

IUPAC[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESNc1nc(Nc2cccc(Cl)c2)sc1C(=O)c1ccccc1
InChIInChI=1S/C16H12ClN3OS/c17-11-7-4-8-12(9-11)19-16-20-15(18)14(22-16)13(21)10-5-2-1-3-6-10/h1-9H,18H2,(H,19,20)
InChIKeyMYDMCEIHQKKSIA-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.35
Rot. Bonds4

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

[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 50761385) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID50761385
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC Name[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESNc1nc(Nc2cccc(Cl)c2)sc1C(=O)c1ccccc1
InChIInChI=1S/C16H12ClN3OS/c17-11-7-4-8-12(9-11)19-16-20-15(18)14(22-16)13(21)10-5-2-1-3-6-10/h1-9H,18H2,(H,19,20)
InChIKeyMYDMCEIHQKKSIA-UHFFFAOYSA-N
XLogP4.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
1-adamantyl-[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]methanone
CID 3470392
[4-amino-2-(2,5-dimethylanilino)-1,3-thiazol-5-yl]-(3-chlorophenyl)methanone
CID 46285852
methyl 3-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzoate
CID 20590571
[4-amino-2-(4-bromoanilino)-1,3-thiazol-5-yl]-(3-bromophenyl)methanone
CID 46285835
4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 23102164
[4-amino-2-(4-chloro-2-methylanilino)-1,3-thiazol-5-yl]-(3-bromophenyl)methanone
CID 46285848
[4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 167436494
[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone
CID 46285896
[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
CID 46285711
1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 46285576
4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 73347326

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone (CID 50761385) is [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone is Nc1nc(Nc2cccc(Cl)c2)sc1C(=O)c1ccccc1.
What is the InChIKey of [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is MYDMCEIHQKKSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c17-11-7-4-8-12(9-11)19-16-20-15(18)14(22-16)13(21)10-5-2-1-3-6-10/h1-9H,18H2,(H,19,20).
What are the key properties of [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 329.81 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 50761385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).