1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol

C13H24N2OS — CID 64544603

IUPAC1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol
SMILESCC(C)CN(CC(C)C)c1nc(C(C)O)cs1
InChIInChI=1S/C13H24N2OS/c1-9(2)6-15(7-10(3)4)13-14-12(8-17-13)11(5)16/h8-11,16H,6-7H2,1-5H3
InChIKeyAHHMNODHVASUDS-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.31
Rot. Bonds6

About 1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol

1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol (PubChem CID 64544603) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol
PubChem CID64544603
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol
SMILESCC(C)CN(CC(C)C)c1nc(C(C)O)cs1
InChIInChI=1S/C13H24N2OS/c1-9(2)6-15(7-10(3)4)13-14-12(8-17-13)11(5)16/h8-11,16H,6-7H2,1-5H3
InChIKeyAHHMNODHVASUDS-UHFFFAOYSA-N
XLogP3.31
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol (CID 64544603) is 1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol is CC(C)CN(CC(C)C)c1nc(C(C)O)cs1.
What is the InChIKey of 1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol?
The InChIKey is AHHMNODHVASUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-9(2)6-15(7-10(3)4)13-14-12(8-17-13)11(5)16/h8-11,16H,6-7H2,1-5H3.
What are the key properties of 1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol?
1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol has a molecular weight of 256.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 64544603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).