(4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone

C13H15N3OS — CID 70585717

IUPAC(4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCc1nc(N(C)C)sc1C(=O)c1ccc(N)cc1
InChIInChI=1S/C13H15N3OS/c1-8-12(18-13(15-8)16(2)3)11(17)9-4-6-10(14)7-5-9/h4-7H,14H2,1-3H3
InChIKeyPDOIUNJARQJDNI-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.33
Rot. Bonds3

About (4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone

(4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone (PubChem CID 70585717) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone
PubChem CID70585717
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCc1nc(N(C)C)sc1C(=O)c1ccc(N)cc1
InChIInChI=1S/C13H15N3OS/c1-8-12(18-13(15-8)16(2)3)11(17)9-4-6-10(14)7-5-9/h4-7H,14H2,1-3H3
InChIKeyPDOIUNJARQJDNI-UHFFFAOYSA-N
XLogP2.33
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone (CID 70585717) is (4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone is Cc1nc(N(C)C)sc1C(=O)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone?
The InChIKey is PDOIUNJARQJDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-12(18-13(15-8)16(2)3)11(17)9-4-6-10(14)7-5-9/h4-7H,14H2,1-3H3.
What are the key properties of (4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone?
(4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone has a molecular weight of 261.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 70585717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).