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

C13H24N2OS — CID 79392570

IUPAC[2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCCCCCN(C)c1nc(C(C)C)c(CO)s1
InChIInChI=1S/C13H24N2OS/c1-5-6-7-8-15(4)13-14-12(10(2)3)11(9-16)17-13/h10,16H,5-9H2,1-4H3
InChIKeyLDZDFZPDLPUBBK-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.39
Rot. Bonds7

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

[2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 79392570) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is [2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID79392570
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name[2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCCCCCN(C)c1nc(C(C)C)c(CO)s1
InChIInChI=1S/C13H24N2OS/c1-5-6-7-8-15(4)13-14-12(10(2)3)11(9-16)17-13/h10,16H,5-9H2,1-4H3
InChIKeyLDZDFZPDLPUBBK-UHFFFAOYSA-N
XLogP3.39
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 79392570) is [2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is CCCCCN(C)c1nc(C(C)C)c(CO)s1.
What is the InChIKey of [2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is LDZDFZPDLPUBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-5-6-7-8-15(4)13-14-12(10(2)3)11(9-16)17-13/h10,16H,5-9H2,1-4H3.
What are the key properties of [2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 256.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79392570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).