2-[(5-amino-1,3-thiazol-2-yl)amino]butan-1-ol

C7H13N3OS — CID 102767599

IUPAC2-[(5-amino-1,3-thiazol-2-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ncc(N)s1
InChIInChI=1S/C7H13N3OS/c1-2-5(4-11)10-7-9-3-6(8)12-7/h3,5,11H,2,4,8H2,1H3,(H,9,10)
InChIKeyQGPKBOZJSDVZJX-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.91
Rot. Bonds4

About 2-[(5-amino-1,3-thiazol-2-yl)amino]butan-1-ol

2-[(5-amino-1,3-thiazol-2-yl)amino]butan-1-ol (PubChem CID 102767599) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-[(5-amino-1,3-thiazol-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(5-amino-1,3-thiazol-2-yl)amino]butan-1-ol
PubChem CID102767599
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-[(5-amino-1,3-thiazol-2-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ncc(N)s1
InChIInChI=1S/C7H13N3OS/c1-2-5(4-11)10-7-9-3-6(8)12-7/h3,5,11H,2,4,8H2,1H3,(H,9,10)
InChIKeyQGPKBOZJSDVZJX-UHFFFAOYSA-N
XLogP0.91
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3-thiazol-2-yl)amino]butan-1-ol?
The IUPAC name of 2-[(5-amino-1,3-thiazol-2-yl)amino]butan-1-ol (CID 102767599) is 2-[(5-amino-1,3-thiazol-2-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(5-amino-1,3-thiazol-2-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(5-amino-1,3-thiazol-2-yl)amino]butan-1-ol is CCC(CO)Nc1ncc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3-thiazol-2-yl)amino]butan-1-ol?
The InChIKey is QGPKBOZJSDVZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-2-5(4-11)10-7-9-3-6(8)12-7/h3,5,11H,2,4,8H2,1H3,(H,9,10).
What are the key properties of 2-[(5-amino-1,3-thiazol-2-yl)amino]butan-1-ol?
2-[(5-amino-1,3-thiazol-2-yl)amino]butan-1-ol has a molecular weight of 187.27 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3-thiazol-2-yl)amino]butan-1-ol is sourced from PubChem (CID 102767599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).