4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide

C19H14N4O2S2 — CID 35065301

IUPAC4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2cccs2)sc1C(=O)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H14N4O2S2/c1-11-16(27-19(20-11)15-7-4-10-26-15)18(25)23-22-17(24)14-9-8-12-5-2-3-6-13(12)21-14/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyHOVVVYBCPCTUCH-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.80
Rot. Bonds3

About 4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide

4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 35065301) has the molecular formula C19H14N4O2S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
PubChem CID35065301
Molecular FormulaC19H14N4O2S2
Molecular Weight394.48 g/mol
Exact Mass394.06
IUPAC Name4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2cccs2)sc1C(=O)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H14N4O2S2/c1-11-16(27-19(20-11)15-7-4-10-26-15)18(25)23-22-17(24)14-9-8-12-5-2-3-6-13(12)21-14/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyHOVVVYBCPCTUCH-UHFFFAOYSA-N
XLogP3.80
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.80
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-methyl-N-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 35505361
N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
CID 78811000
N'-(3-ethyl-4-oxophthalazine-1-carbonyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
CID 27564090
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 103895328
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 121122679
4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide
CID 81341188
N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41247806
1-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65451578
4-methyl-N-(pyridin-4-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86911102
N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 27667865
4-methyl-2-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 9192165
4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 90546415

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide (CID 35065301) is 4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2cccs2)sc1C(=O)NNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of 4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is HOVVVYBCPCTUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S2/c1-11-16(27-19(20-11)15-7-4-10-26-15)18(25)23-22-17(24)14-9-8-12-5-2-3-6-13(12)21-14/h2-10H,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 394.48 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 35065301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).