3-(1,3-thiazol-4-ylmethylamino)butan-1-ol

C8H14N2OS — CID 78997840

IUPAC3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
SMILESCC(CCO)NCc1cscn1
InChIInChI=1S/C8H14N2OS/c1-7(2-3-11)9-4-8-5-12-6-10-8/h5-7,9,11H,2-4H2,1H3
InChIKeyFXWZLYKTVRTERC-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.00
Rot. Bonds5

About 3-(1,3-thiazol-4-ylmethylamino)butan-1-ol

3-(1,3-thiazol-4-ylmethylamino)butan-1-ol (PubChem CID 78997840) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
PubChem CID78997840
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
SMILESCC(CCO)NCc1cscn1
InChIInChI=1S/C8H14N2OS/c1-7(2-3-11)9-4-8-5-12-6-10-8/h5-7,9,11H,2-4H2,1H3
InChIKeyFXWZLYKTVRTERC-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

6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine
CID 115715037
N-(1,3-thiazol-4-ylmethyl)pent-4-yn-2-amine
CID 115660275
5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol
CID 111498615
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436912
(1R,3R)-1-(4-fluorophenyl)-3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 97249715
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696131
tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate
CID 103389967
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 80709131
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81375362
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436836

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-4-ylmethylamino)butan-1-ol?
The IUPAC name of 3-(1,3-thiazol-4-ylmethylamino)butan-1-ol (CID 78997840) is 3-(1,3-thiazol-4-ylmethylamino)butan-1-ol.
What is the SMILES notation for 3-(1,3-thiazol-4-ylmethylamino)butan-1-ol?
The canonical SMILES for 3-(1,3-thiazol-4-ylmethylamino)butan-1-ol is CC(CCO)NCc1cscn1.
What is the InChIKey of 3-(1,3-thiazol-4-ylmethylamino)butan-1-ol?
The InChIKey is FXWZLYKTVRTERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-7(2-3-11)9-4-8-5-12-6-10-8/h5-7,9,11H,2-4H2,1H3.
What are the key properties of 3-(1,3-thiazol-4-ylmethylamino)butan-1-ol?
3-(1,3-thiazol-4-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-4-ylmethylamino)butan-1-ol is sourced from PubChem (CID 78997840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).