[4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol

C8H13ClN2OS — CID 130679999

IUPAC[4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol
SMILESCC(C)CNc1nc(Cl)c(CO)s1
InChIInChI=1S/C8H13ClN2OS/c1-5(2)3-10-8-11-7(9)6(4-12)13-8/h5,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyBOGZXXYMYPIHGH-UHFFFAOYSA-N
MW220.72 g/mol
LogP2.36
Rot. Bonds4

About [4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol

[4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol (PubChem CID 130679999) has the molecular formula C8H13ClN2OS and a molecular weight of 220.72 g/mol. Its IUPAC name is [4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol
PubChem CID130679999
Molecular FormulaC8H13ClN2OS
Molecular Weight220.72 g/mol
Exact Mass220.04
IUPAC Name[4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol
SMILESCC(C)CNc1nc(Cl)c(CO)s1
InChIInChI=1S/C8H13ClN2OS/c1-5(2)3-10-8-11-7(9)6(4-12)13-8/h5,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyBOGZXXYMYPIHGH-UHFFFAOYSA-N
XLogP2.36
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.72
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol (CID 130679999) is [4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol is CC(C)CNc1nc(Cl)c(CO)s1.
What is the InChIKey of [4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol?
The InChIKey is BOGZXXYMYPIHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2OS/c1-5(2)3-10-8-11-7(9)6(4-12)13-8/h5,12H,3-4H2,1-2H3,(H,10,11).
What are the key properties of [4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol has a molecular weight of 220.72 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 130679999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).