2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide

C19H15N5O4S — CID 78847242

IUPAC2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)c3csc(-c4ccco4)n3)[nH]n2)cc1
InChIInChI=1S/C19H15N5O4S/c1-27-12-6-4-11(5-7-12)13-9-14(22-21-13)17(25)23-24-18(26)15-10-29-19(20-15)16-3-2-8-28-16/h2-10H,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyXMFNWNYJKVJHBK-UHFFFAOYSA-N
MW409.43 g/mol
LogP2.88
Rot. Bonds5

About 2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide

2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 78847242) has the molecular formula C19H15N5O4S and a molecular weight of 409.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide
PubChem CID78847242
Molecular FormulaC19H15N5O4S
Molecular Weight409.43 g/mol
Exact Mass409.08
IUPAC Name2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)c3csc(-c4ccco4)n3)[nH]n2)cc1
InChIInChI=1S/C19H15N5O4S/c1-27-12-6-4-11(5-7-12)13-9-14(22-21-13)17(25)23-24-18(26)15-10-29-19(20-15)16-3-2-8-28-16/h2-10H,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyXMFNWNYJKVJHBK-UHFFFAOYSA-N
XLogP2.88
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide (CID 78847242) is 2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC(=O)c3csc(-c4ccco4)n3)[nH]n2)cc1.
What is the InChIKey of 2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is XMFNWNYJKVJHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4S/c1-27-12-6-4-11(5-7-12)13-9-14(22-21-13)17(25)23-24-18(26)15-10-29-19(20-15)16-3-2-8-28-16/h2-10H,1H3,(H,21,22)(H,23,25)(H,24,26).
What are the key properties of 2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide?
2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 409.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 78847242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).