[4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol

C13H22N2OS — CID 63917237

IUPAC[4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCC(C)CCN(C)c1nc(C2CC2)c(CO)s1
InChIInChI=1S/C13H22N2OS/c1-9(2)6-7-15(3)13-14-12(10-4-5-10)11(8-16)17-13/h9-10,16H,4-8H2,1-3H3
InChIKeyAHVBEGCSUHXXGW-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.00
Rot. Bonds6

About [4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol

[4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 63917237) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID63917237
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCC(C)CCN(C)c1nc(C2CC2)c(CO)s1
InChIInChI=1S/C13H22N2OS/c1-9(2)6-7-15(3)13-14-12(10-4-5-10)11(8-16)17-13/h9-10,16H,4-8H2,1-3H3
InChIKeyAHVBEGCSUHXXGW-UHFFFAOYSA-N
XLogP3.00
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol (CID 63917237) is [4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol is CC(C)CCN(C)c1nc(C2CC2)c(CO)s1.
What is the InChIKey of [4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is AHVBEGCSUHXXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(2)6-7-15(3)13-14-12(10-4-5-10)11(8-16)17-13/h9-10,16H,4-8H2,1-3H3.
What are the key properties of [4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
[4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 254.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63917237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).