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

C11H12N2S2 — CID 43299423

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
SMILESCc1nc(CSc2ccc(N)cc2)cs1
InChIInChI=1S/C11H12N2S2/c1-8-13-10(6-14-8)7-15-11-4-2-9(12)3-5-11/h2-6H,7,12H2,1H3
InChIKeyYWMMTQZPCONXBQ-UHFFFAOYSA-N
MW236.37 g/mol
LogP3.33
Rot. Bonds3

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

4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline (PubChem CID 43299423) has the molecular formula C11H12N2S2 and a molecular weight of 236.37 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
PubChem CID43299423
Molecular FormulaC11H12N2S2
Molecular Weight236.37 g/mol
Exact Mass236.04
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
SMILESCc1nc(CSc2ccc(N)cc2)cs1
InChIInChI=1S/C11H12N2S2/c1-8-13-10(6-14-8)7-15-11-4-2-9(12)3-5-11/h2-6H,7,12H2,1H3
InChIKeyYWMMTQZPCONXBQ-UHFFFAOYSA-N
XLogP3.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 79148477
N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide
CID 4795879
[2-(4-methylphenyl)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 30344298
N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 24624321
[2-(methylamino)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 18149571
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 43299180
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 43300079
2-chloro-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid
CID 113371620
N-[3-(aminomethyl)pentan-3-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 119570008
N-(2-methoxyethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 24624877
[4-(4-chlorobenzoyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone
CID 46551500

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline (CID 43299423) is 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline is Cc1nc(CSc2ccc(N)cc2)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The InChIKey is YWMMTQZPCONXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2/c1-8-13-10(6-14-8)7-15-11-4-2-9(12)3-5-11/h2-6H,7,12H2,1H3.
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline has a molecular weight of 236.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline is sourced from PubChem (CID 43299423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).