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

C16H12ClN3OS — CID 1484799

IUPAC[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESNc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccccc1
InChIInChI=1S/C16H12ClN3OS/c17-11-6-8-12(9-7-11)19-16-20-15(18)14(22-16)13(21)10-4-2-1-3-5-10/h1-9H,18H2,(H,19,20)
InChIKeyLFUAJHRRAYJVBI-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.35
Rot. Bonds4

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

[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 1484799) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID1484799
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC Name[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESNc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccccc1
InChIInChI=1S/C16H12ClN3OS/c17-11-6-8-12(9-7-11)19-16-20-15(18)14(22-16)13(21)10-4-2-1-3-5-10/h1-9H,18H2,(H,19,20)
InChIKeyLFUAJHRRAYJVBI-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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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone (CID 1484799) is [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone is Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccccc1.
What is the InChIKey of [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is LFUAJHRRAYJVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c17-11-6-8-12(9-7-11)19-16-20-15(18)14(22-16)13(21)10-4-2-1-3-5-10/h1-9H,18H2,(H,19,20).
What are the key properties of [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone?
[4-amino-2-(4-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-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 1484799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).