1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine

C14H18N2S2 — CID 55018625

IUPAC1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine
SMILESCc1csc(SC(c2ccccc2C)C(C)N)n1
InChIInChI=1S/C14H18N2S2/c1-9-6-4-5-7-12(9)13(11(3)15)18-14-16-10(2)8-17-14/h4-8,11,13H,15H2,1-3H3
InChIKeyLSBCJOLDCUFEKU-UHFFFAOYSA-N
MW278.45 g/mol
LogP3.94
Rot. Bonds4

About 1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine

1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine (PubChem CID 55018625) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is 1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine
PubChem CID55018625
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC Name1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine
SMILESCc1csc(SC(c2ccccc2C)C(C)N)n1
InChIInChI=1S/C14H18N2S2/c1-9-6-4-5-7-12(9)13(11(3)15)18-14-16-10(2)8-17-14/h4-8,11,13H,15H2,1-3H3
InChIKeyLSBCJOLDCUFEKU-UHFFFAOYSA-N
XLogP3.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019158
1-(2-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019060
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
CID 64897892
2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole
CID 112786550
4-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]aniline
CID 61261675
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499825
N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline
CID 62578541
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol
CID 115742698
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499841
N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine
CID 64649007
(2S)-1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one
CID 51682202

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine?
The IUPAC name of 1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine (CID 55018625) is 1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine is Cc1csc(SC(c2ccccc2C)C(C)N)n1.
What is the InChIKey of 1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine?
The InChIKey is LSBCJOLDCUFEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-9-6-4-5-7-12(9)13(11(3)15)18-14-16-10(2)8-17-14/h4-8,11,13H,15H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine?
1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine has a molecular weight of 278.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine is sourced from PubChem (CID 55018625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).