4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide

C18H27N5O4S — CID 164738779

IUPAC4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide
SMILESCOC1=c2nc(NC(=O)N3CCC(CO)CC3)sc2=C(N2CCOCC2)NC1
InChIInChI=1S/C18H27N5O4S/c1-26-13-10-19-16(22-6-8-27-9-7-22)15-14(13)20-17(28-15)21-18(25)23-4-2-12(11-24)3-5-23/h12,19,24H,2-11H2,1H3,(H,20,21,25)
InChIKeyWPYJHNWWOZYMBG-UHFFFAOYSA-N
MW409.51 g/mol
LogP-0.87
Rot. Bonds4

About 4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide

4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide (PubChem CID 164738779) has the molecular formula C18H27N5O4S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide
PubChem CID164738779
Molecular FormulaC18H27N5O4S
Molecular Weight409.51 g/mol
Exact Mass409.18
IUPAC Name4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide
SMILESCOC1=c2nc(NC(=O)N3CCC(CO)CC3)sc2=C(N2CCOCC2)NC1
InChIInChI=1S/C18H27N5O4S/c1-26-13-10-19-16(22-6-8-27-9-7-22)15-14(13)20-17(28-15)21-18(25)23-4-2-12(11-24)3-5-23/h12,19,24H,2-11H2,1H3,(H,20,21,25)
InChIKeyWPYJHNWWOZYMBG-UHFFFAOYSA-N
XLogP-0.87
TPSA99.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

4-(hydroxymethyl)-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide
CID 86597284
4-(18F)fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 162675230
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111475847
4-(hydroxymethyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47215175
N-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47199232
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxamide
CID 11618368
4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid
CID 22719552
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
N-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide
CID 154973417
4-hydroxy-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide
CID 142681404
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 10155956
N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]morpholine-4-carboxamide
CID 11326842

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide (CID 164738779) is 4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide is COC1=c2nc(NC(=O)N3CCC(CO)CC3)sc2=C(N2CCOCC2)NC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide?
The InChIKey is WPYJHNWWOZYMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4S/c1-26-13-10-19-16(22-6-8-27-9-7-22)15-14(13)20-17(28-15)21-18(25)23-4-2-12(11-24)3-5-23/h12,19,24H,2-11H2,1H3,(H,20,21,25).
What are the key properties of 4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide?
4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide has a molecular weight of 409.51 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 164738779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).