2-amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol

C8H13ClN2OS — CID 107124480

IUPAC2-amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol
SMILESCC(C)C(N)C(O)c1ncc(Cl)s1
InChIInChI=1S/C8H13ClN2OS/c1-4(2)6(10)7(12)8-11-3-5(9)13-8/h3-4,6-7,12H,10H2,1-2H3
InChIKeyFIPBEJKNRXKXMW-UHFFFAOYSA-N
MW220.73 g/mol
LogP1.81
Rot. Bonds3

About 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol

2-amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol (PubChem CID 107124480) has the molecular formula C8H13ClN2OS and a molecular weight of 220.73 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol
PubChem CID107124480
Molecular FormulaC8H13ClN2OS
Molecular Weight220.73 g/mol
Exact Mass220.04
IUPAC Name2-amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol
SMILESCC(C)C(N)C(O)c1ncc(Cl)s1
InChIInChI=1S/C8H13ClN2OS/c1-4(2)6(10)7(12)8-11-3-5(9)13-8/h3-4,6-7,12H,10H2,1-2H3
InChIKeyFIPBEJKNRXKXMW-UHFFFAOYSA-N
XLogP1.81
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.73
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol?
The IUPAC name of 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol (CID 107124480) is 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol is CC(C)C(N)C(O)c1ncc(Cl)s1.
What is the InChIKey of 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol?
The InChIKey is FIPBEJKNRXKXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2OS/c1-4(2)6(10)7(12)8-11-3-5(9)13-8/h3-4,6-7,12H,10H2,1-2H3.
What are the key properties of 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol?
2-amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol has a molecular weight of 220.73 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 107124480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).