6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol

C14H26N2OS — CID 103924140

IUPAC6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol
SMILESCC(C)(C)c1nc(CNCCCCCCO)cs1
InChIInChI=1S/C14H26N2OS/c1-14(2,3)13-16-12(11-18-13)10-15-8-6-4-5-7-9-17/h11,15,17H,4-10H2,1-3H3
InChIKeyLAZGYCJPZFXCSU-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.08
Rot. Bonds8

About 6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol

6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol (PubChem CID 103924140) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol
PubChem CID103924140
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol
SMILESCC(C)(C)c1nc(CNCCCCCCO)cs1
InChIInChI=1S/C14H26N2OS/c1-14(2,3)13-16-12(11-18-13)10-15-8-6-4-5-7-9-17/h11,15,17H,4-10H2,1-3H3
InChIKeyLAZGYCJPZFXCSU-UHFFFAOYSA-N
XLogP3.08
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.08
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

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115592018
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857684
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 115591920
N-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]methanesulfonamide
CID 49463526
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]benzoic acid
CID 120509449
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115699192
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 115614174
2-bromo-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-en-1-amine
CID 115614724
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115592117
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629587
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide
CID 47285247

Frequently Asked Questions

What is the IUPAC name of 6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol (CID 103924140) is 6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol is CC(C)(C)c1nc(CNCCCCCCO)cs1.
What is the InChIKey of 6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol?
The InChIKey is LAZGYCJPZFXCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-14(2,3)13-16-12(11-18-13)10-15-8-6-4-5-7-9-17/h11,15,17H,4-10H2,1-3H3.
What are the key properties of 6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol?
6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol has a molecular weight of 270.44 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol is sourced from PubChem (CID 103924140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).