N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine

C15H20N2S2 — CID 64715193

IUPACN-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCSCc1nc(CNC(C)C)c(-c2ccccc2)s1
InChIInChI=1S/C15H20N2S2/c1-11(2)16-9-13-15(12-7-5-4-6-8-12)19-14(17-13)10-18-3/h4-8,11,16H,9-10H2,1-3H3
InChIKeyPNURGUHSRHIQEM-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.17
Rot. Bonds6

About N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine

N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 64715193) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID64715193
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC NameN-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCSCc1nc(CNC(C)C)c(-c2ccccc2)s1
InChIInChI=1S/C15H20N2S2/c1-11(2)16-9-13-15(12-7-5-4-6-8-12)19-14(17-13)10-18-3/h4-8,11,16H,9-10H2,1-3H3
InChIKeyPNURGUHSRHIQEM-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 64715193) is N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine is CSCc1nc(CNC(C)C)c(-c2ccccc2)s1.
What is the InChIKey of N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is PNURGUHSRHIQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-11(2)16-9-13-15(12-7-5-4-6-8-12)19-14(17-13)10-18-3/h4-8,11,16H,9-10H2,1-3H3.
What are the key properties of N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 64715193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).