2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C14H17ClN6OS — CID 135722564

IUPAC2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C\c2sc(N3CCCCC3)nc2Cl)n1
InChIInChI=1S/C14H17ClN6OS/c1-9-7-11(22)18-13(17-9)20-16-8-10-12(15)19-14(23-10)21-5-3-2-4-6-21/h7-8H,2-6H2,1H3,(H2,17,18,20,22)/b16-8-
InChIKeyYFAKLMJEBYVVIU-PXNMLYILSA-N
MW352.85 g/mol
LogP2.62
Rot. Bonds4

About 2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135722564) has the molecular formula C14H17ClN6OS and a molecular weight of 352.85 g/mol. Its IUPAC name is 2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135722564
Molecular FormulaC14H17ClN6OS
Molecular Weight352.85 g/mol
Exact Mass352.09
IUPAC Name2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C\c2sc(N3CCCCC3)nc2Cl)n1
InChIInChI=1S/C14H17ClN6OS/c1-9-7-11(22)18-13(17-9)20-16-8-10-12(15)19-14(23-10)21-5-3-2-4-6-21/h7-8H,2-6H2,1H3,(H2,17,18,20,22)/b16-8-
InChIKeyYFAKLMJEBYVVIU-PXNMLYILSA-N
XLogP2.62
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135722564) is 2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C\c2sc(N3CCCCC3)nc2Cl)n1.
What is the InChIKey of 2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is YFAKLMJEBYVVIU-PXNMLYILSA-N. The full InChI is InChI=1S/C14H17ClN6OS/c1-9-7-11(22)18-13(17-9)20-16-8-10-12(15)19-14(23-10)21-5-3-2-4-6-21/h7-8H,2-6H2,1H3,(H2,17,18,20,22)/b16-8-.
What are the key properties of 2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 352.85 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135722564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).