1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol

C11H20N2OS — CID 62754020

IUPAC1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCCCCCN(C)c1ncc(C(C)O)s1
InChIInChI=1S/C11H20N2OS/c1-4-5-6-7-13(3)11-12-8-10(15-11)9(2)14/h8-9,14H,4-7H2,1-3H3
InChIKeyRFOIUKRXTXCZTG-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.82
Rot. Bonds6

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

1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 62754020) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID62754020
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCCCCCN(C)c1ncc(C(C)O)s1
InChIInChI=1S/C11H20N2OS/c1-4-5-6-7-13(3)11-12-8-10(15-11)9(2)14/h8-9,14H,4-7H2,1-3H3
InChIKeyRFOIUKRXTXCZTG-UHFFFAOYSA-N
XLogP2.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.82
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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Related Compounds

1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62755061
5-(1-aminoethyl)-N-butyl-N-methyl-1,3-thiazol-2-amine
CID 62750832
1-[2-[methyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62754186
N-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750234
1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol
CID 64586228
2-[methyl(pentyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62752432
1-[2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol
CID 62753873
1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol
CID 55111987
1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol
CID 63685736
1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753865
5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62754150
N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 59481359

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol (CID 62754020) is 1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol is CCCCCN(C)c1ncc(C(C)O)s1.
What is the InChIKey of 1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is RFOIUKRXTXCZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-5-6-7-13(3)11-12-8-10(15-11)9(2)14/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol?
1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 228.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62754020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).