[2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol

C17H24N2O3S — CID 42836664

IUPAC[2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol
SMILESCCC(C)NCc1ccc(OC)c(OCc2nc(CO)cs2)c1
InChIInChI=1S/C17H24N2O3S/c1-4-12(2)18-8-13-5-6-15(21-3)16(7-13)22-10-17-19-14(9-20)11-23-17/h5-7,11-12,18,20H,4,8-10H2,1-3H3
InChIKeyHDUULZCQTRRNKW-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.11
Rot. Bonds9

About [2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol

[2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol (PubChem CID 42836664) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is [2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol
PubChem CID42836664
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name[2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol
SMILESCCC(C)NCc1ccc(OC)c(OCc2nc(CO)cs2)c1
InChIInChI=1S/C17H24N2O3S/c1-4-12(2)18-8-13-5-6-15(21-3)16(7-13)22-10-17-19-14(9-20)11-23-17/h5-7,11-12,18,20H,4,8-10H2,1-3H3
InChIKeyHDUULZCQTRRNKW-UHFFFAOYSA-N
XLogP3.11
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[5-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol
CID 42836662
N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
CID 4717032
4-chloro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-propan-2-ylbenzamide
CID 46006413
N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-3-methylbutanamide
CID 46006438
N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]acetamide
CID 42836734
(2S)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726611
N-(furan-2-ylmethyl)-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-2-methylpropanamide
CID 46006387
(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol
CID 114985562
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17291372
N-[(4-fluorophenyl)methyl]-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-4-methylbenzenesulfonamide
CID 42836819
2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide
CID 46006377
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17293993

Frequently Asked Questions

What is the IUPAC name of [2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol (CID 42836664) is [2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol is CCC(C)NCc1ccc(OC)c(OCc2nc(CO)cs2)c1.
What is the InChIKey of [2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is HDUULZCQTRRNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-4-12(2)18-8-13-5-6-15(21-3)16(7-13)22-10-17-19-14(9-20)11-23-17/h5-7,11-12,18,20H,4,8-10H2,1-3H3.
What are the key properties of [2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol?
[2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 336.46 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 42836664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).