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

C15H20N2S2 — CID 63806520

IUPACN-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
SMILESCc1csc(Sc2ccc(CNC(C)C)c(C)c2)n1
InChIInChI=1S/C15H20N2S2/c1-10(2)16-8-13-5-6-14(7-11(13)3)19-15-17-12(4)9-18-15/h5-7,9-10,16H,8H2,1-4H3
InChIKeyJJQPGXVAXBONAI-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.41
Rot. Bonds5

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

N-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine (PubChem CID 63806520) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
PubChem CID63806520
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC NameN-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
SMILESCc1csc(Sc2ccc(CNC(C)C)c(C)c2)n1
InChIInChI=1S/C15H20N2S2/c1-10(2)16-8-13-5-6-14(7-11(13)3)19-15-17-12(4)9-18-15/h5-7,9-10,16H,8H2,1-4H3
InChIKeyJJQPGXVAXBONAI-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine (CID 63806520) is N-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine is Cc1csc(Sc2ccc(CNC(C)C)c(C)c2)n1.
What is the InChIKey of N-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine?
The InChIKey is JJQPGXVAXBONAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-10(2)16-8-13-5-6-14(7-11(13)3)19-15-17-12(4)9-18-15/h5-7,9-10,16H,8H2,1-4H3.
What are the key properties of N-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine?
N-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63806520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).