[2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol

C8H12N2OS — CID 170486483

IUPAC[2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol
SMILESNCCC=Cc1ncc(CO)s1
InChIInChI=1S/C8H12N2OS/c9-4-2-1-3-8-10-5-7(6-11)12-8/h1,3,5,11H,2,4,6,9H2
InChIKeyDQPRPWCLQQITFZ-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.00
Rot. Bonds4

About [2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol

[2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol (PubChem CID 170486483) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is [2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol
PubChem CID170486483
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name[2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol
SMILESNCCC=Cc1ncc(CO)s1
InChIInChI=1S/C8H12N2OS/c9-4-2-1-3-8-10-5-7(6-11)12-8/h1,3,5,11H,2,4,6,9H2
InChIKeyDQPRPWCLQQITFZ-UHFFFAOYSA-N
XLogP1.00
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol (CID 170486483) is [2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol is NCCC=Cc1ncc(CO)s1.
What is the InChIKey of [2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is DQPRPWCLQQITFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c9-4-2-1-3-8-10-5-7(6-11)12-8/h1,3,5,11H,2,4,6,9H2.
What are the key properties of [2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol?
[2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 184.26 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 170486483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).