2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol

C10H18N2OS — CID 65035743

IUPAC2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
SMILESCc1ncsc1CCNCC(C)CO
InChIInChI=1S/C10H18N2OS/c1-8(6-13)5-11-4-3-10-9(2)12-7-14-10/h7-8,11,13H,3-6H2,1-2H3
InChIKeyGYNDSKKSOUOMHC-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.21
Rot. Bonds6

About 2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol

2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol (PubChem CID 65035743) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
PubChem CID65035743
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
SMILESCc1ncsc1CCNCC(C)CO
InChIInChI=1S/C10H18N2OS/c1-8(6-13)5-11-4-3-10-9(2)12-7-14-10/h7-8,11,13H,3-6H2,1-2H3
InChIKeyGYNDSKKSOUOMHC-UHFFFAOYSA-N
XLogP1.21
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentan-1-ol
CID 106160337
3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol
CID 66168458
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 62528685
3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 66091745
2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]prop-2-en-1-amine
CID 114616804
2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine
CID 114004588
4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine
CID 62069755
1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65108787
2,2,3,3-tetrafluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 106291949
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine
CID 116643984
N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069916
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 106045272

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol?
The IUPAC name of 2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol (CID 65035743) is 2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol is Cc1ncsc1CCNCC(C)CO.
What is the InChIKey of 2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol?
The InChIKey is GYNDSKKSOUOMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8(6-13)5-11-4-3-10-9(2)12-7-14-10/h7-8,11,13H,3-6H2,1-2H3.
What are the key properties of 2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol?
2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 65035743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).