[2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol

C14H24N2O2S — CID 79393576

IUPAC[2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N(C)CC2CCOCC2)sc1CO
InChIInChI=1S/C14H24N2O2S/c1-10(2)13-12(9-17)19-14(15-13)16(3)8-11-4-6-18-7-5-11/h10-11,17H,4-9H2,1-3H3
InChIKeyGPQNBIHEPHDPGH-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.62
Rot. Bonds5

About [2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol

[2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 79393576) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is [2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID79393576
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name[2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N(C)CC2CCOCC2)sc1CO
InChIInChI=1S/C14H24N2O2S/c1-10(2)13-12(9-17)19-14(15-13)16(3)8-11-4-6-18-7-5-11/h10-11,17H,4-9H2,1-3H3
InChIKeyGPQNBIHEPHDPGH-UHFFFAOYSA-N
XLogP2.62
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-Methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]ethanol
CID 68896058
[4-Ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 55117384
[4-Ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62778323
[4-Tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62778491
[4-Tert-butyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62779164
[4-Ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62779328
[4-Tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62780156
[4-Ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62780157
[4-Tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62780851
[4-Ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol
CID 62970394
[4-Cyclopropyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 63915665
[4-Cyclopropyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 63916841

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 79393576) is [2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is CC(C)c1nc(N(C)CC2CCOCC2)sc1CO.
What is the InChIKey of [2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is GPQNBIHEPHDPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-10(2)13-12(9-17)19-14(15-13)16(3)8-11-4-6-18-7-5-11/h10-11,17H,4-9H2,1-3H3.
What are the key properties of [2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 284.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79393576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).