3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide

C21H17N3O4S — CID 27685699

IUPAC3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccc(OCc3cscn3)cc2)oc2ccccc12
InChIInChI=1S/C21H17N3O4S/c1-13-17-4-2-3-5-18(17)28-19(13)21(26)24-23-20(25)14-6-8-16(9-7-14)27-10-15-11-29-12-22-15/h2-9,11-12H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyBGRQPSAKFAYCJQ-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.85
Rot. Bonds5

About 3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide

3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide (PubChem CID 27685699) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is 3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
PubChem CID27685699
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Name3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccc(OCc3cscn3)cc2)oc2ccccc12
InChIInChI=1S/C21H17N3O4S/c1-13-17-4-2-3-5-18(17)28-19(13)21(26)24-23-20(25)14-6-8-16(9-7-14)27-10-15-11-29-12-22-15/h2-9,11-12H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyBGRQPSAKFAYCJQ-UHFFFAOYSA-N
XLogP3.85
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
6-methoxy-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 27685748
3-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]-1-benzofuran-2-carbohydrazide
CID 30291084
4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 35008943
N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 24607749
(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880617
3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
CID 27685461
N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
CID 86835530
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 110000901
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 17418605

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide (CID 27685699) is 3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccc(OCc3cscn3)cc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is BGRQPSAKFAYCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-13-17-4-2-3-5-18(17)28-19(13)21(26)24-23-20(25)14-6-8-16(9-7-14)27-10-15-11-29-12-22-15/h2-9,11-12H,10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide?
3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 407.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 27685699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).