1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide

C19H22N6O2S — CID 78813402

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide
SMILESCc1sc2ncnc(N3CCC(C(=O)NNC(=O)c4ccc[nH]4)CC3)c2c1C
InChIInChI=1S/C19H22N6O2S/c1-11-12(2)28-19-15(11)16(21-10-22-19)25-8-5-13(6-9-25)17(26)23-24-18(27)14-4-3-7-20-14/h3-4,7,10,13,20H,5-6,8-9H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyRDHCRXPWWSFYLQ-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.31
Rot. Bonds3

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide (PubChem CID 78813402) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide
PubChem CID78813402
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide
SMILESCc1sc2ncnc(N3CCC(C(=O)NNC(=O)c4ccc[nH]4)CC3)c2c1C
InChIInChI=1S/C19H22N6O2S/c1-11-12(2)28-19-15(11)16(21-10-22-19)25-8-5-13(6-9-25)17(26)23-24-18(27)14-4-3-7-20-14/h3-4,7,10,13,20H,5-6,8-9H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyRDHCRXPWWSFYLQ-UHFFFAOYSA-N
XLogP2.31
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-fluorobenzoyl)piperidine-4-carbohydrazide
CID 30275952
N'-[4-(diethylamino)benzoyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbohydrazide
CID 41467756
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 55573149
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 26448184
N-(4-acetamidophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 30266901
N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 9268829
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-[2-(4-methoxyphenoxy)acetyl]piperidine-4-carbohydrazide
CID 25162448
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 18274285
N'-[2-(4-bromophenoxy)acetyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbohydrazide
CID 24979393
3-[[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]propanoic acid
CID 119350896
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78855921
N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119629198

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide (CID 78813402) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide is Cc1sc2ncnc(N3CCC(C(=O)NNC(=O)c4ccc[nH]4)CC3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide?
The InChIKey is RDHCRXPWWSFYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-11-12(2)28-19-15(11)16(21-10-22-19)25-8-5-13(6-9-25)17(26)23-24-18(27)14-4-3-7-20-14/h3-4,7,10,13,20H,5-6,8-9H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide has a molecular weight of 398.49 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 78813402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).