4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol

C7H11ClN2OS — CID 126995503

IUPAC4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol
SMILESCC(O)CCNc1ncc(Cl)s1
InChIInChI=1S/C7H11ClN2OS/c1-5(11)2-3-9-7-10-4-6(8)12-7/h4-5,11H,2-3H2,1H3,(H,9,10)
InChIKeyQZUBSIGREAFIGM-UHFFFAOYSA-N
MW206.70 g/mol
LogP1.98
Rot. Bonds4

About 4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol

4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol (PubChem CID 126995503) has the molecular formula C7H11ClN2OS and a molecular weight of 206.70 g/mol. Its IUPAC name is 4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol
PubChem CID126995503
Molecular FormulaC7H11ClN2OS
Molecular Weight206.70 g/mol
Exact Mass206.03
IUPAC Name4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol
SMILESCC(O)CCNc1ncc(Cl)s1
InChIInChI=1S/C7H11ClN2OS/c1-5(11)2-3-9-7-10-4-6(8)12-7/h4-5,11H,2-3H2,1H3,(H,9,10)
InChIKeyQZUBSIGREAFIGM-UHFFFAOYSA-N
XLogP1.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.70
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol?
The IUPAC name of 4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol (CID 126995503) is 4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol is CC(O)CCNc1ncc(Cl)s1.
What is the InChIKey of 4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol?
The InChIKey is QZUBSIGREAFIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2OS/c1-5(11)2-3-9-7-10-4-6(8)12-7/h4-5,11H,2-3H2,1H3,(H,9,10).
What are the key properties of 4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol?
4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol has a molecular weight of 206.70 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1,3-thiazol-2-yl)amino]butan-2-ol is sourced from PubChem (CID 126995503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).