N'-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carbohydrazide

C15H13N3O2S2 — CID 2817112

IUPACN'-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carbohydrazide
SMILESCOc1cccc(-c2csc(NNC(=O)c3cccs3)n2)c1
InChIInChI=1S/C15H13N3O2S2/c1-20-11-5-2-4-10(8-11)12-9-22-15(16-12)18-17-14(19)13-6-3-7-21-13/h2-9H,1H3,(H,16,18)(H,17,19)
InChIKeyHERMZKVIZDMATB-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.64
Rot. Bonds5

About N'-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carbohydrazide

N'-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carbohydrazide (PubChem CID 2817112) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N'-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carbohydrazide
PubChem CID2817112
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN'-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carbohydrazide
SMILESCOc1cccc(-c2csc(NNC(=O)c3cccs3)n2)c1
InChIInChI=1S/C15H13N3O2S2/c1-20-11-5-2-4-10(8-11)12-9-22-15(16-12)18-17-14(19)13-6-3-7-21-13/h2-9H,1H3,(H,16,18)(H,17,19)
InChIKeyHERMZKVIZDMATB-UHFFFAOYSA-N
XLogP3.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.64
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

4-methoxy-N-(4-(thiophen-2-yl)thiazol-2-yl)benzamide
CID 746912
N'-(4-phenyl-1,3-thiazol-2-yl)-2-furohydrazide
CID 827779
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide
CID 862691
N-(4-(2,5-dimethoxyphenyl)thiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 2114184
N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide
CID 2365274
N-[(E)-furan-2-ylmethylideneamino]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 49863639
N-[(E)-1-(furan-2-yl)ethylideneamino]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 49863640
4-(3-methoxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 49863679
4-(3-methoxyphenyl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
CID 49863680
N'-[(2-amino-1,3-thiazol-4-yl)acetyl]-3-methoxybenzohydrazide
CID 777817
N-[4-[1-amino-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 46943846
(Z)-3-methoxy-N-(4-phenylthiazol-2(3H)-ylidene)benzamide
CID 2598506

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carbohydrazide (CID 2817112) is N'-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carbohydrazide is COc1cccc(-c2csc(NNC(=O)c3cccs3)n2)c1.
What is the InChIKey of N'-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carbohydrazide?
The InChIKey is HERMZKVIZDMATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-20-11-5-2-4-10(8-11)12-9-22-15(16-12)18-17-14(19)13-6-3-7-21-13/h2-9H,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carbohydrazide?
N'-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carbohydrazide has a molecular weight of 331.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carbohydrazide is sourced from PubChem (CID 2817112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).