3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one

C19H17N3O2S — CID 7365363

IUPAC3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1csc(N/N=C\[C@@H]2CC=CCC2)n1
InChIInChI=1S/C19H17N3O2S/c23-18-15(10-14-8-4-5-9-17(14)24-18)16-12-25-19(21-16)22-20-11-13-6-2-1-3-7-13/h1-2,4-5,8-13H,3,6-7H2,(H,21,22)/b20-11-/t13-/m1/s1
InChIKeyUGHGKIWJIWQYMO-RBFBNPFJSA-N
MW351.43 g/mol
LogP4.67
Rot. Bonds4

About 3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one

3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one (PubChem CID 7365363) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one.

Molecular Properties

Compound Name3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
PubChem CID7365363
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1csc(N/N=C\[C@@H]2CC=CCC2)n1
InChIInChI=1S/C19H17N3O2S/c23-18-15(10-14-8-4-5-9-17(14)24-18)16-12-25-19(21-16)22-20-11-13-6-2-1-3-7-13/h1-2,4-5,8-13H,3,6-7H2,(H,21,22)/b20-11-/t13-/m1/s1
InChIKeyUGHGKIWJIWQYMO-RBFBNPFJSA-N
XLogP4.67
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
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CID 156580018
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CID 50900476
3-[2-[(2E)-2-hex-5-en-2-ylidenehydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 50900382
3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
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CID 3776365

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one?
The IUPAC name of 3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one (CID 7365363) is 3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one.
What is the SMILES notation for 3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one?
The canonical SMILES for 3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one is O=c1oc2ccccc2cc1-c1csc(N/N=C\[C@@H]2CC=CCC2)n1.
What is the InChIKey of 3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one?
The InChIKey is UGHGKIWJIWQYMO-RBFBNPFJSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-18-15(10-14-8-4-5-9-17(14)24-18)16-12-25-19(21-16)22-20-11-13-6-2-1-3-7-13/h1-2,4-5,8-13H,3,6-7H2,(H,21,22)/b20-11-/t13-/m1/s1.
What are the key properties of 3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one?
3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one has a molecular weight of 351.43 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one is sourced from PubChem (CID 7365363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).