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

C8H14N2OS — CID 106841033

IUPAC4-(1,3-thiazol-4-ylmethylamino)butan-1-ol
SMILESOCCCCNCc1cscn1
InChIInChI=1S/C8H14N2OS/c11-4-2-1-3-9-5-8-6-12-7-10-8/h6-7,9,11H,1-5H2
InChIKeyPOLVFAHRTAMADI-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.01
Rot. Bonds6

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

4-(1,3-thiazol-4-ylmethylamino)butan-1-ol (PubChem CID 106841033) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-(1,3-thiazol-4-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name4-(1,3-thiazol-4-ylmethylamino)butan-1-ol
PubChem CID106841033
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name4-(1,3-thiazol-4-ylmethylamino)butan-1-ol
SMILESOCCCCNCc1cscn1
InChIInChI=1S/C8H14N2OS/c11-4-2-1-3-9-5-8-6-12-7-10-8/h6-7,9,11H,1-5H2
InChIKeyPOLVFAHRTAMADI-UHFFFAOYSA-N
XLogP1.01
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.01
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

3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115732906
5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine
CID 79002634
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115639498
4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 115600125
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine
CID 20567703
N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine
CID 115883663
1-methyl-3-[2-(1,3-thiazol-4-ylmethylamino)ethyl]thiourea
CID 20557651
6-[(1,3-thiazol-4-ylmethylamino)methyl]pyridin-3-ol
CID 79794983
2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol
CID 81412166
3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696926
N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 115635490

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-4-ylmethylamino)butan-1-ol?
The IUPAC name of 4-(1,3-thiazol-4-ylmethylamino)butan-1-ol (CID 106841033) is 4-(1,3-thiazol-4-ylmethylamino)butan-1-ol.
What is the SMILES notation for 4-(1,3-thiazol-4-ylmethylamino)butan-1-ol?
The canonical SMILES for 4-(1,3-thiazol-4-ylmethylamino)butan-1-ol is OCCCCNCc1cscn1.
What is the InChIKey of 4-(1,3-thiazol-4-ylmethylamino)butan-1-ol?
The InChIKey is POLVFAHRTAMADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c11-4-2-1-3-9-5-8-6-12-7-10-8/h6-7,9,11H,1-5H2.
What are the key properties of 4-(1,3-thiazol-4-ylmethylamino)butan-1-ol?
4-(1,3-thiazol-4-ylmethylamino)butan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-4-ylmethylamino)butan-1-ol is sourced from PubChem (CID 106841033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).