4-amino-1-(1,3-thiazol-4-yl)butan-1-ol

C7H12N2OS — CID 82411796

IUPAC4-amino-1-(1,3-thiazol-4-yl)butan-1-ol
SMILESNCCCC(O)c1cscn1
InChIInChI=1S/C7H12N2OS/c8-3-1-2-7(10)6-4-11-5-9-6/h4-5,7,10H,1-3,8H2
InChIKeyBNMSQGMJQJBZCZ-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.92
Rot. Bonds4

About 4-amino-1-(1,3-thiazol-4-yl)butan-1-ol

4-amino-1-(1,3-thiazol-4-yl)butan-1-ol (PubChem CID 82411796) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-amino-1-(1,3-thiazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-1-(1,3-thiazol-4-yl)butan-1-ol
PubChem CID82411796
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name4-amino-1-(1,3-thiazol-4-yl)butan-1-ol
SMILESNCCCC(O)c1cscn1
InChIInChI=1S/C7H12N2OS/c8-3-1-2-7(10)6-4-11-5-9-6/h4-5,7,10H,1-3,8H2
InChIKeyBNMSQGMJQJBZCZ-UHFFFAOYSA-N
XLogP0.92
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,3-thiazol-4-yl)butan-1-ol?
The IUPAC name of 4-amino-1-(1,3-thiazol-4-yl)butan-1-ol (CID 82411796) is 4-amino-1-(1,3-thiazol-4-yl)butan-1-ol.
What is the SMILES notation for 4-amino-1-(1,3-thiazol-4-yl)butan-1-ol?
The canonical SMILES for 4-amino-1-(1,3-thiazol-4-yl)butan-1-ol is NCCCC(O)c1cscn1.
What is the InChIKey of 4-amino-1-(1,3-thiazol-4-yl)butan-1-ol?
The InChIKey is BNMSQGMJQJBZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c8-3-1-2-7(10)6-4-11-5-9-6/h4-5,7,10H,1-3,8H2.
What are the key properties of 4-amino-1-(1,3-thiazol-4-yl)butan-1-ol?
4-amino-1-(1,3-thiazol-4-yl)butan-1-ol has a molecular weight of 172.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,3-thiazol-4-yl)butan-1-ol is sourced from PubChem (CID 82411796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).