3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one

C17H18ClN5OS2 — CID 9231256

IUPAC3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(/N=C\c3sc(N4CCCCC4)nc3Cl)cnc2s1
InChIInChI=1S/C17H18ClN5OS2/c1-2-11-8-12-15(25-11)19-10-23(16(12)24)20-9-13-14(18)21-17(26-13)22-6-4-3-5-7-22/h8-10H,2-7H2,1H3/b20-9-
InChIKeyYRCQLUZBEDDMDO-UKWGHVSLSA-N
MW407.95 g/mol
LogP4.00
Rot. Bonds4

About 3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one

3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 9231256) has the molecular formula C17H18ClN5OS2 and a molecular weight of 407.95 g/mol. Its IUPAC name is 3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
PubChem CID9231256
Molecular FormulaC17H18ClN5OS2
Molecular Weight407.95 g/mol
Exact Mass407.06
IUPAC Name3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(/N=C\c3sc(N4CCCCC4)nc3Cl)cnc2s1
InChIInChI=1S/C17H18ClN5OS2/c1-2-11-8-12-15(25-11)19-10-23(16(12)24)20-9-13-14(18)21-17(26-13)22-6-4-3-5-7-22/h8-10H,2-7H2,1H3/b20-9-
InChIKeyYRCQLUZBEDDMDO-UKWGHVSLSA-N
XLogP4.00
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one (CID 9231256) is 3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(/N=C\c3sc(N4CCCCC4)nc3Cl)cnc2s1.
What is the InChIKey of 3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is YRCQLUZBEDDMDO-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H18ClN5OS2/c1-2-11-8-12-15(25-11)19-10-23(16(12)24)20-9-13-14(18)21-17(26-13)22-6-4-3-5-7-22/h8-10H,2-7H2,1H3/b20-9-.
What are the key properties of 3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one?
3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 407.95 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 9231256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).