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

C12H22N2OS — CID 62780335

IUPAC[4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCCC(C)N(C)c1nc(CC)c(CO)s1
InChIInChI=1S/C12H22N2OS/c1-5-7-9(3)14(4)12-13-10(6-2)11(8-15)16-12/h9,15H,5-8H2,1-4H3
InChIKeyMNTCVLUYYRTUDI-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.82
Rot. Bonds6

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

[4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62780335) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is [4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62780335
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name[4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCCC(C)N(C)c1nc(CC)c(CO)s1
InChIInChI=1S/C12H22N2OS/c1-5-7-9(3)14(4)12-13-10(6-2)11(8-15)16-12/h9,15H,5-8H2,1-4H3
InChIKeyMNTCVLUYYRTUDI-UHFFFAOYSA-N
XLogP2.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol (CID 62780335) is [4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol is CCCC(C)N(C)c1nc(CC)c(CO)s1.
What is the InChIKey of [4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is MNTCVLUYYRTUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-5-7-9(3)14(4)12-13-10(6-2)11(8-15)16-12/h9,15H,5-8H2,1-4H3.
What are the key properties of [4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
[4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 242.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62780335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).