3-(1,3-thiazol-5-ylmethylamino)butan-1-ol

C8H14N2OS — CID 81421993

IUPAC3-(1,3-thiazol-5-ylmethylamino)butan-1-ol
SMILESCC(CCO)NCc1cncs1
InChIInChI=1S/C8H14N2OS/c1-7(2-3-11)10-5-8-4-9-6-12-8/h4,6-7,10-11H,2-3,5H2,1H3
InChIKeyMAOCKZXOVAJRIT-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.00
Rot. Bonds5

About 3-(1,3-thiazol-5-ylmethylamino)butan-1-ol

3-(1,3-thiazol-5-ylmethylamino)butan-1-ol (PubChem CID 81421993) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-(1,3-thiazol-5-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name3-(1,3-thiazol-5-ylmethylamino)butan-1-ol
PubChem CID81421993
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-(1,3-thiazol-5-ylmethylamino)butan-1-ol
SMILESCC(CCO)NCc1cncs1
InChIInChI=1S/C8H14N2OS/c1-7(2-3-11)10-5-8-4-9-6-12-8/h4,6-7,10-11H,2-3,5H2,1H3
InChIKeyMAOCKZXOVAJRIT-UHFFFAOYSA-N
XLogP1.00
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 103854616
(2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol
CID 94578466
5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine
CID 62759038
2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 103391134
2-methyl-6-(1,3-thiazol-5-ylmethylamino)heptanoic acid
CID 112641429
(2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol
CID 94578982
4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732215
4-methylsulfanyl-2-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 115732846
3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine
CID 63843497
(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81373323
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 78997840

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-5-ylmethylamino)butan-1-ol?
The IUPAC name of 3-(1,3-thiazol-5-ylmethylamino)butan-1-ol (CID 81421993) is 3-(1,3-thiazol-5-ylmethylamino)butan-1-ol.
What is the SMILES notation for 3-(1,3-thiazol-5-ylmethylamino)butan-1-ol?
The canonical SMILES for 3-(1,3-thiazol-5-ylmethylamino)butan-1-ol is CC(CCO)NCc1cncs1.
What is the InChIKey of 3-(1,3-thiazol-5-ylmethylamino)butan-1-ol?
The InChIKey is MAOCKZXOVAJRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-7(2-3-11)10-5-8-4-9-6-12-8/h4,6-7,10-11H,2-3,5H2,1H3.
What are the key properties of 3-(1,3-thiazol-5-ylmethylamino)butan-1-ol?
3-(1,3-thiazol-5-ylmethylamino)butan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-5-ylmethylamino)butan-1-ol is sourced from PubChem (CID 81421993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).