(3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide

C16H17N7O3S2 — CID 59011929

IUPAC(3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC[C@@H](C(=O)Nc4nccs4)C3)nc12
InChIInChI=1S/C16H17N7O3S2/c1-26-12-10-13(19-8-18-12)28-15(20-10)22-16(25)23-5-2-3-9(7-23)11(24)21-14-17-4-6-27-14/h4,6,8-9H,2-3,5,7H2,1H3,(H,17,21,24)(H,20,22,25)/t9-/m1/s1
InChIKeyBXNQYZOXBILTBY-SECBINFHSA-N
MW419.49 g/mol
LogP2.43
Rot. Bonds4

About (3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide

(3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide (PubChem CID 59011929) has the molecular formula C16H17N7O3S2 and a molecular weight of 419.49 g/mol. Its IUPAC name is (3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
PubChem CID59011929
Molecular FormulaC16H17N7O3S2
Molecular Weight419.49 g/mol
Exact Mass419.08
IUPAC Name(3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC[C@@H](C(=O)Nc4nccs4)C3)nc12
InChIInChI=1S/C16H17N7O3S2/c1-26-12-10-13(19-8-18-12)28-15(20-10)22-16(25)23-5-2-3-9(7-23)11(24)21-14-17-4-6-27-14/h4,6,8-9H,2-3,5,7H2,1H3,(H,17,21,24)(H,20,22,25)/t9-/m1/s1
InChIKeyBXNQYZOXBILTBY-SECBINFHSA-N
XLogP2.43
TPSA122.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55811121
[1-[1-[(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
CID 151089338
1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067016
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51125247
(3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94657727
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
(3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95579738
(3R)-1-[(2E,4E)-hexa-2,4-dienoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94816093
(3S)-1-[(2E,4E)-hexa-2,4-dienoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94638871
1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55810706
1-(3-methoxy-4-propan-2-yloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55813505

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide (CID 59011929) is (3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide is COc1ncnc2sc(NC(=O)N3CCC[C@@H](C(=O)Nc4nccs4)C3)nc12.
What is the InChIKey of (3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The InChIKey is BXNQYZOXBILTBY-SECBINFHSA-N. The full InChI is InChI=1S/C16H17N7O3S2/c1-26-12-10-13(19-8-18-12)28-15(20-10)22-16(25)23-5-2-3-9(7-23)11(24)21-14-17-4-6-27-14/h4,6,8-9H,2-3,5,7H2,1H3,(H,17,21,24)(H,20,22,25)/t9-/m1/s1.
What are the key properties of (3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
(3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 59011929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).