N-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine

C15H20N2S2 — CID 66346852

IUPACN-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine
SMILESCCCc1nc(CSc2cccc(CNC)c2)cs1
InChIInChI=1S/C15H20N2S2/c1-3-5-15-17-13(11-19-15)10-18-14-7-4-6-12(8-14)9-16-2/h4,6-8,11,16H,3,5,9-10H2,1-2H3
InChIKeyGMRPESGCFSROOW-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.11
Rot. Bonds7

About N-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine

N-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine (PubChem CID 66346852) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine
PubChem CID66346852
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC NameN-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine
SMILESCCCc1nc(CSc2cccc(CNC)c2)cs1
InChIInChI=1S/C15H20N2S2/c1-3-5-15-17-13(11-19-15)10-18-14-7-4-6-12(8-14)9-16-2/h4,6-8,11,16H,3,5,9-10H2,1-2H3
InChIKeyGMRPESGCFSROOW-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine (CID 66346852) is N-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine is CCCc1nc(CSc2cccc(CNC)c2)cs1.
What is the InChIKey of N-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine?
The InChIKey is GMRPESGCFSROOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-3-5-15-17-13(11-19-15)10-18-14-7-4-6-12(8-14)9-16-2/h4,6-8,11,16H,3,5,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine?
N-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine has a molecular weight of 292.47 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine is sourced from PubChem (CID 66346852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).