5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol

C19H20N4O3S — CID 135829002

IUPAC5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/c2ccc3nc(N4CCOCC4)sc3c2)c1O
InChIInChI=1S/C19H20N4O3S/c1-12-18(25)15(13(11-24)9-20-12)10-21-14-2-3-16-17(8-14)27-19(22-16)23-4-6-26-7-5-23/h2-3,8-10,24-25H,4-7,11H2,1H3/b21-10+
InChIKeyNMQWMYMTGFNLBS-UFFVCSGVSA-N
MW384.46 g/mol
LogP2.78
Rot. Bonds4

About 5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol (PubChem CID 135829002) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol
PubChem CID135829002
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/c2ccc3nc(N4CCOCC4)sc3c2)c1O
InChIInChI=1S/C19H20N4O3S/c1-12-18(25)15(13(11-24)9-20-12)10-21-14-2-3-16-17(8-14)27-19(22-16)23-4-6-26-7-5-23/h2-3,8-10,24-25H,4-7,11H2,1H3/b21-10+
InChIKeyNMQWMYMTGFNLBS-UFFVCSGVSA-N
XLogP2.78
TPSA91.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol with MolForge

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Related Compounds

5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol
CID 135828932
2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol
CID 135758653
4-[(2,2-difluoro-1,3-benzodioxol-5-yl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135855273
5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]pyridin-3-ol
CID 135829007
5-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 135828600
5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol
CID 135828702
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
4-[(4-bromo-2-methylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135828774
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide
CID 43027638
2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile
CID 169341496
2,2-dimethyl-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]propanamide
CID 36803011
3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide
CID 9116131

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol (CID 135829002) is 5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol is Cc1ncc(CO)c(/C=N/c2ccc3nc(N4CCOCC4)sc3c2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol?
The InChIKey is NMQWMYMTGFNLBS-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-12-18(25)15(13(11-24)9-20-12)10-21-14-2-3-16-17(8-14)27-19(22-16)23-4-6-26-7-5-23/h2-3,8-10,24-25H,4-7,11H2,1H3/b21-10+.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol has a molecular weight of 384.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]pyridin-3-ol is sourced from PubChem (CID 135829002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).