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

C12H14N2S2 — CID 79148477

IUPAC2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
SMILESCc1nc(CSc2ccc(N)c(C)c2)cs1
InChIInChI=1S/C12H14N2S2/c1-8-5-11(3-4-12(8)13)16-7-10-6-15-9(2)14-10/h3-6H,7,13H2,1-2H3
InChIKeyRNNXHFIAWCGIMZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.63
Rot. Bonds3

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

2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline (PubChem CID 79148477) has the molecular formula C12H14N2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
PubChem CID79148477
Molecular FormulaC12H14N2S2
Molecular Weight250.39 g/mol
Exact Mass250.06
IUPAC Name2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
SMILESCc1nc(CSc2ccc(N)c(C)c2)cs1
InChIInChI=1S/C12H14N2S2/c1-8-5-11(3-4-12(8)13)16-7-10-6-15-9(2)14-10/h3-6H,7,13H2,1-2H3
InChIKeyRNNXHFIAWCGIMZ-UHFFFAOYSA-N
XLogP3.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.63
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

4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 43299423
N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide
CID 4795879
2-chloro-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid
CID 113371620
N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 24624321
N-[4-[(4-amino-3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 79140742
4-[(6-methoxy-2-pyridinyl)methylsulfanyl]-2-methylaniline
CID 79148098
2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
CID 79147590
4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline
CID 82892721
7-[(4-amino-3-methylphenyl)sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 79148484
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 43300079
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline
CID 81182064
4-[(3,5-dimethylphenyl)methylsulfanyl]-2-methylaniline
CID 79148201

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The IUPAC name of 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline (CID 79148477) is 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline.
What is the SMILES notation for 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The canonical SMILES for 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline is Cc1nc(CSc2ccc(N)c(C)c2)cs1.
What is the InChIKey of 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The InChIKey is RNNXHFIAWCGIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2/c1-8-5-11(3-4-12(8)13)16-7-10-6-15-9(2)14-10/h3-6H,7,13H2,1-2H3.
What are the key properties of 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline has a molecular weight of 250.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]aniline is sourced from PubChem (CID 79148477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).