1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol

C10H17ClN2OS — CID 79763845

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1cnc(Cl)s1)CC(C)(C)O
InChIInChI=1S/C10H17ClN2OS/c1-4-13(7-10(2,3)14)6-8-5-12-9(11)15-8/h5,14H,4,6-7H2,1-3H3
InChIKeyLVNCVTXXMHTBQW-UHFFFAOYSA-N
MW248.78 g/mol
LogP2.39
Rot. Bonds5

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol

1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol (PubChem CID 79763845) has the molecular formula C10H17ClN2OS and a molecular weight of 248.78 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol
PubChem CID79763845
Molecular FormulaC10H17ClN2OS
Molecular Weight248.78 g/mol
Exact Mass248.08
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1cnc(Cl)s1)CC(C)(C)O
InChIInChI=1S/C10H17ClN2OS/c1-4-13(7-10(2,3)14)6-8-5-12-9(11)15-8/h5,14H,4,6-7H2,1-3H3
InChIKeyLVNCVTXXMHTBQW-UHFFFAOYSA-N
XLogP2.39
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.78
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol (CID 79763845) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol is CCN(Cc1cnc(Cl)s1)CC(C)(C)O.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol?
The InChIKey is LVNCVTXXMHTBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2OS/c1-4-13(7-10(2,3)14)6-8-5-12-9(11)15-8/h5,14H,4,6-7H2,1-3H3.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol?
1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol has a molecular weight of 248.78 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79763845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).