[4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol

C10H15ClN2OS — CID 80692094

IUPAC[4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol
SMILESC=C(C)CN(CC)c1nc(Cl)c(CO)s1
InChIInChI=1S/C10H15ClN2OS/c1-4-13(5-7(2)3)10-12-9(11)8(6-14)15-10/h14H,2,4-6H2,1,3H3
InChIKeyQIYAAFHMMOAVTH-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.69
Rot. Bonds5

About [4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol

[4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 80692094) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is [4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID80692094
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name[4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol
SMILESC=C(C)CN(CC)c1nc(Cl)c(CO)s1
InChIInChI=1S/C10H15ClN2OS/c1-4-13(5-7(2)3)10-12-9(11)8(6-14)15-10/h14H,2,4-6H2,1,3H3
InChIKeyQIYAAFHMMOAVTH-UHFFFAOYSA-N
XLogP2.69
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol (CID 80692094) is [4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol is C=C(C)CN(CC)c1nc(Cl)c(CO)s1.
What is the InChIKey of [4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is QIYAAFHMMOAVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-4-13(5-7(2)3)10-12-9(11)8(6-14)15-10/h14H,2,4-6H2,1,3H3.
What are the key properties of [4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 246.76 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[ethyl(2-methylprop-2-enyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).