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

C16H13N3OS — CID 174473560

IUPAC[4-amino-2-(4-aminophenyl)-1,3-thiazol-5-yl]-phenylmethanone
SMILESNc1ccc(-c2nc(N)c(C(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C16H13N3OS/c17-12-8-6-11(7-9-12)16-19-15(18)14(21-16)13(20)10-4-2-1-3-5-10/h1-9H,17-18H2
InChIKeyONRFKRAYVHTMSC-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.21
Rot. Bonds3

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

[4-amino-2-(4-aminophenyl)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 174473560) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is [4-amino-2-(4-aminophenyl)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-amino-2-(4-aminophenyl)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID174473560
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name[4-amino-2-(4-aminophenyl)-1,3-thiazol-5-yl]-phenylmethanone
SMILESNc1ccc(-c2nc(N)c(C(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C16H13N3OS/c17-12-8-6-11(7-9-12)16-19-15(18)14(21-16)13(20)10-4-2-1-3-5-10/h1-9H,17-18H2
InChIKeyONRFKRAYVHTMSC-UHFFFAOYSA-N
XLogP3.21
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone
CID 10110569
4-amino-2-phenyl-1,3-thiazole-5-carbothioamide
CID 12526355
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82176843
(4-aminophenyl)-phenylmethanone
CID 14346
2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114358827
[4-amino-2-(2-phenylethylamino)-1,3-thiazol-5-yl]-phenylmethanone
CID 71733211
(2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
CID 147321417
4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227073
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114358831
4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone
CID 167533534
2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 47120010

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(4-aminophenyl)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-amino-2-(4-aminophenyl)-1,3-thiazol-5-yl]-phenylmethanone (CID 174473560) is [4-amino-2-(4-aminophenyl)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-amino-2-(4-aminophenyl)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-amino-2-(4-aminophenyl)-1,3-thiazol-5-yl]-phenylmethanone is Nc1ccc(-c2nc(N)c(C(=O)c3ccccc3)s2)cc1.
What is the InChIKey of [4-amino-2-(4-aminophenyl)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is ONRFKRAYVHTMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-12-8-6-11(7-9-12)16-19-15(18)14(21-16)13(20)10-4-2-1-3-5-10/h1-9H,17-18H2.
What are the key properties of [4-amino-2-(4-aminophenyl)-1,3-thiazol-5-yl]-phenylmethanone?
[4-amino-2-(4-aminophenyl)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 295.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(4-aminophenyl)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 174473560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).