4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline

C14H12N2S2 — CID 63993468

IUPAC4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline
SMILESCc1ccsc1-c1csc(-c2ccc(N)cc2)n1
InChIInChI=1S/C14H12N2S2/c1-9-6-7-17-13(9)12-8-18-14(16-12)10-2-4-11(15)5-3-10/h2-8H,15H2,1H3
InChIKeyNRHOWMILIHGWDX-UHFFFAOYSA-N
MW272.40 g/mol
LogP4.43
Rot. Bonds2

About 4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline

4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline (PubChem CID 63993468) has the molecular formula C14H12N2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline
PubChem CID63993468
Molecular FormulaC14H12N2S2
Molecular Weight272.40 g/mol
Exact Mass272.04
IUPAC Name4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline
SMILESCc1ccsc1-c1csc(-c2ccc(N)cc2)n1
InChIInChI=1S/C14H12N2S2/c1-9-6-7-17-13(9)12-8-18-14(16-12)10-2-4-11(15)5-3-10/h2-8H,15H2,1H3
InChIKeyNRHOWMILIHGWDX-UHFFFAOYSA-N
XLogP4.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline?
The IUPAC name of 4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline (CID 63993468) is 4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline is Cc1ccsc1-c1csc(-c2ccc(N)cc2)n1.
What is the InChIKey of 4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline?
The InChIKey is NRHOWMILIHGWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S2/c1-9-6-7-17-13(9)12-8-18-14(16-12)10-2-4-11(15)5-3-10/h2-8H,15H2,1H3.
What are the key properties of 4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline?
4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline has a molecular weight of 272.40 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 63993468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).