[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol

C13H24N2OS2 — CID 112666546

IUPAC[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(C)C(CC)CSC)sc1CO
InChIInChI=1S/C13H24N2OS2/c1-5-7-11-12(8-16)18-13(14-11)15(3)10(6-2)9-17-4/h10,16H,5-9H2,1-4H3
InChIKeyDQGMSFPXSANDKF-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.17
Rot. Bonds8

About [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol

[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 112666546) has the molecular formula C13H24N2OS2 and a molecular weight of 288.48 g/mol. Its IUPAC name is [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID112666546
Molecular FormulaC13H24N2OS2
Molecular Weight288.48 g/mol
Exact Mass288.13
IUPAC Name[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(C)C(CC)CSC)sc1CO
InChIInChI=1S/C13H24N2OS2/c1-5-7-11-12(8-16)18-13(14-11)15(3)10(6-2)9-17-4/h10,16H,5-9H2,1-4H3
InChIKeyDQGMSFPXSANDKF-UHFFFAOYSA-N
XLogP3.17
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (CID 112666546) is [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(N(C)C(CC)CSC)sc1CO.
What is the InChIKey of [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is DQGMSFPXSANDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS2/c1-5-7-11-12(8-16)18-13(14-11)15(3)10(6-2)9-17-4/h10,16H,5-9H2,1-4H3.
What are the key properties of [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 288.48 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 112666546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).