5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol

C12H22N2OS — CID 111498615

IUPAC5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol
SMILESCC(C)CC(CCO)CNCc1cscn1
InChIInChI=1S/C12H22N2OS/c1-10(2)5-11(3-4-15)6-13-7-12-8-16-9-14-12/h8-11,13,15H,3-7H2,1-2H3
InChIKeyPNJOZLJQBWOODL-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.28
Rot. Bonds8

About 5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol

5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol (PubChem CID 111498615) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol
PubChem CID111498615
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol
SMILESCC(C)CC(CCO)CNCc1cscn1
InChIInChI=1S/C12H22N2OS/c1-10(2)5-11(3-4-15)6-13-7-12-8-16-9-14-12/h8-11,13,15H,3-7H2,1-2H3
InChIKeyPNJOZLJQBWOODL-UHFFFAOYSA-N
XLogP2.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 78997840
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 111662589
5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine
CID 79002634
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol
CID 111114947
1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine
CID 63826089
1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 63826093
2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 78968604
(3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol
CID 97025644
4-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 106841033
1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol
CID 103625342
2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78914468

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol?
The IUPAC name of 5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol (CID 111498615) is 5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol.
What is the SMILES notation for 5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol?
The canonical SMILES for 5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol is CC(C)CC(CCO)CNCc1cscn1.
What is the InChIKey of 5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol?
The InChIKey is PNJOZLJQBWOODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10(2)5-11(3-4-15)6-13-7-12-8-16-9-14-12/h8-11,13,15H,3-7H2,1-2H3.
What are the key properties of 5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol?
5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol has a molecular weight of 242.39 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol is sourced from PubChem (CID 111498615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).