2-[(2-butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol

C14H26N2O2S — CID 75455978

IUPAC2-[(2-butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol
SMILESCCCCc1nc(CN(CCO)C(C)(C)CO)cs1
InChIInChI=1S/C14H26N2O2S/c1-4-5-6-13-15-12(10-19-13)9-16(7-8-17)14(2,3)11-18/h10,17-18H,4-9,11H2,1-3H3
InChIKeyVUYDGEANBZYEKG-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.05
Rot. Bonds9

About 2-[(2-butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol

2-[(2-butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol (PubChem CID 75455978) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-[(2-butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol
PubChem CID75455978
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name2-[(2-butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol
SMILESCCCCc1nc(CN(CCO)C(C)(C)CO)cs1
InChIInChI=1S/C14H26N2O2S/c1-4-5-6-13-15-12(10-19-13)9-16(7-8-17)14(2,3)11-18/h10,17-18H,4-9,11H2,1-3H3
InChIKeyVUYDGEANBZYEKG-UHFFFAOYSA-N
XLogP2.05
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(2-butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol (CID 75455978) is 2-[(2-butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(2-butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(2-butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol is CCCCc1nc(CN(CCO)C(C)(C)CO)cs1.
What is the InChIKey of 2-[(2-butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol?
The InChIKey is VUYDGEANBZYEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-4-5-6-13-15-12(10-19-13)9-16(7-8-17)14(2,3)11-18/h10,17-18H,4-9,11H2,1-3H3.
What are the key properties of 2-[(2-butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol?
2-[(2-butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol has a molecular weight of 286.44 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butyl-1,3-thiazol-4-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 75455978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).