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

C15H20N2S2 — CID 64647840

IUPACN-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)Sc1nc(C)cs1
InChIInChI=1S/C15H20N2S2/c1-10-5-7-13(8-6-10)14(16-4)12(3)19-15-17-11(2)9-18-15/h5-9,12,14,16H,1-4H3
InChIKeyQQGNWDZHIORCAI-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.20
Rot. Bonds5

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

N-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine (PubChem CID 64647840) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
PubChem CID64647840
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC NameN-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)Sc1nc(C)cs1
InChIInChI=1S/C15H20N2S2/c1-10-5-7-13(8-6-10)14(16-4)12(3)19-15-17-11(2)9-18-15/h5-9,12,14,16H,1-4H3
InChIKeyQQGNWDZHIORCAI-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine (CID 64647840) is N-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine is CNC(c1ccc(C)cc1)C(C)Sc1nc(C)cs1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine?
The InChIKey is QQGNWDZHIORCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-10-5-7-13(8-6-10)14(16-4)12(3)19-15-17-11(2)9-18-15/h5-9,12,14,16H,1-4H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine?
N-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 64647840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).