2-(aminomethyl)-1-(1,2-thiazol-5-yl)butan-1-ol

C8H14N2OS — CID 165443426

IUPAC2-(aminomethyl)-1-(1,2-thiazol-5-yl)butan-1-ol
SMILESCCC(CN)C(O)c1ccns1
InChIInChI=1S/C8H14N2OS/c1-2-6(5-9)8(11)7-3-4-10-12-7/h3-4,6,8,11H,2,5,9H2,1H3
InChIKeyZFQXQHPAJQFZSQ-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.16
Rot. Bonds4

About 2-(aminomethyl)-1-(1,2-thiazol-5-yl)butan-1-ol

2-(aminomethyl)-1-(1,2-thiazol-5-yl)butan-1-ol (PubChem CID 165443426) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(1,2-thiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(1,2-thiazol-5-yl)butan-1-ol
PubChem CID165443426
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-(aminomethyl)-1-(1,2-thiazol-5-yl)butan-1-ol
SMILESCCC(CN)C(O)c1ccns1
InChIInChI=1S/C8H14N2OS/c1-2-6(5-9)8(11)7-3-4-10-12-7/h3-4,6,8,11H,2,5,9H2,1H3
InChIKeyZFQXQHPAJQFZSQ-UHFFFAOYSA-N
XLogP1.16
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(1,2-thiazol-5-yl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(1,2-thiazol-5-yl)butan-1-ol (CID 165443426) is 2-(aminomethyl)-1-(1,2-thiazol-5-yl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(1,2-thiazol-5-yl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(1,2-thiazol-5-yl)butan-1-ol is CCC(CN)C(O)c1ccns1.
What is the InChIKey of 2-(aminomethyl)-1-(1,2-thiazol-5-yl)butan-1-ol?
The InChIKey is ZFQXQHPAJQFZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-2-6(5-9)8(11)7-3-4-10-12-7/h3-4,6,8,11H,2,5,9H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(1,2-thiazol-5-yl)butan-1-ol?
2-(aminomethyl)-1-(1,2-thiazol-5-yl)butan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(1,2-thiazol-5-yl)butan-1-ol is sourced from PubChem (CID 165443426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).