N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine

C13H24N2S2 — CID 63983884

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C13H24N2S2/c1-10(9-16-5)6-14-7-11-8-15-12(17-11)13(2,3)4/h8,10,14H,6-7,9H2,1-5H3
InChIKeyIFHPERJLUBXSTH-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.53
Rot. Bonds6

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 63983884) has the molecular formula C13H24N2S2 and a molecular weight of 272.48 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID63983884
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C13H24N2S2/c1-10(9-16-5)6-14-7-11-8-15-12(17-11)13(2,3)4/h8,10,14H,6-7,9H2,1-5H3
InChIKeyIFHPERJLUBXSTH-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine (CID 63983884) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine is CSCC(C)CNCc1cnc(C(C)(C)C)s1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is IFHPERJLUBXSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c1-10(9-16-5)6-14-7-11-8-15-12(17-11)13(2,3)4/h8,10,14H,6-7,9H2,1-5H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 272.48 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63983884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).