2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine

C15H20N2S2 — CID 63813301

IUPAC2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)ccc1Sc1nccs1
InChIInChI=1S/C15H20N2S2/c1-11-9-12(10-17-15(2,3)4)5-6-13(11)19-14-16-7-8-18-14/h5-9,17H,10H2,1-4H3
InChIKeyLHXDTSDSQMNOGF-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.49
Rot. Bonds4

About 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine

2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine (PubChem CID 63813301) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
PubChem CID63813301
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC Name2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)ccc1Sc1nccs1
InChIInChI=1S/C15H20N2S2/c1-11-9-12(10-17-15(2,3)4)5-6-13(11)19-14-16-7-8-18-14/h5-9,17H,10H2,1-4H3
InChIKeyLHXDTSDSQMNOGF-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63812839
N-[[3-fluoro-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 63813747
N-[[3-chloro-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 81159551
N-[(4-cyclopentylsulfanyl-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 55238887
N-[(3,4-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599165
N-[[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 63814514
N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
CID 63195230
2-[3-fluoro-4-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine
CID 63818702
N-[[2-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 55238882
1-[5-bromo-2-(1,3-thiazol-2-ylsulfanyl)phenyl]-N-ethylethanamine
CID 82969989
2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
CID 80639313
N-[[3-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 55240384

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine (CID 63813301) is 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine is Cc1cc(CNC(C)(C)C)ccc1Sc1nccs1.
What is the InChIKey of 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine?
The InChIKey is LHXDTSDSQMNOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-11-9-12(10-17-15(2,3)4)5-6-13(11)19-14-16-7-8-18-14/h5-9,17H,10H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63813301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).