5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine

C13H25N3S2 — CID 112664315

IUPAC5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(C)C(CC)CSC)s1
InChIInChI=1S/C13H25N3S2/c1-5-7-14-13-15-8-12(18-13)9-16(3)11(6-2)10-17-4/h8,11H,5-7,9-10H2,1-4H3,(H,14,15)
InChIKeyIHFVCXWVBPDHDH-UHFFFAOYSA-N
MW287.50 g/mol
LogP3.54
Rot. Bonds9

About 5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine

5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 112664315) has the molecular formula C13H25N3S2 and a molecular weight of 287.50 g/mol. Its IUPAC name is 5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID112664315
Molecular FormulaC13H25N3S2
Molecular Weight287.50 g/mol
Exact Mass287.15
IUPAC Name5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(C)C(CC)CSC)s1
InChIInChI=1S/C13H25N3S2/c1-5-7-14-13-15-8-12(18-13)9-16(3)11(6-2)10-17-4/h8,11H,5-7,9-10H2,1-4H3,(H,14,15)
InChIKeyIHFVCXWVBPDHDH-UHFFFAOYSA-N
XLogP3.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771449
5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774640
5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 114237921
5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771643
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine
CID 79772531
2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol
CID 113476329
N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774133
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 81074664
2-[cyanomethyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetonitrile
CID 79772011
5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774342
6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
CID 112664312

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (CID 112664315) is 5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CN(C)C(CC)CSC)s1.
What is the InChIKey of 5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is IHFVCXWVBPDHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S2/c1-5-7-14-13-15-8-12(18-13)9-16(3)11(6-2)10-17-4/h8,11H,5-7,9-10H2,1-4H3,(H,14,15).
What are the key properties of 5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 287.50 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 112664315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).