4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide

C13H16N4O4S3 — CID 26950906

IUPAC4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cccs1
InChIInChI=1S/C13H16N4O4S3/c1-9-11(23-13(14-9)17-4-6-21-7-5-17)12(18)15-16-24(19,20)10-3-2-8-22-10/h2-3,8,16H,4-7H2,1H3,(H,15,18)
InChIKeyAIWVOPPZEFTYHC-UHFFFAOYSA-N
MW388.50 g/mol
LogP0.97
Rot. Bonds5

About 4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide

4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide (PubChem CID 26950906) has the molecular formula C13H16N4O4S3 and a molecular weight of 388.50 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide
PubChem CID26950906
Molecular FormulaC13H16N4O4S3
Molecular Weight388.50 g/mol
Exact Mass388.03
IUPAC Name4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cccs1
InChIInChI=1S/C13H16N4O4S3/c1-9-11(23-13(14-9)17-4-6-21-7-5-17)12(18)15-16-24(19,20)10-3-2-8-22-10/h2-3,8,16H,4-7H2,1H3,(H,15,18)
InChIKeyAIWVOPPZEFTYHC-UHFFFAOYSA-N
XLogP0.97
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 26950907
4-methyl-2-morpholin-4-yl-N'-(2,3,4-trifluorophenyl)sulfonyl-1,3-thiazole-5-carbohydrazide
CID 26950922
N'-(2-bromo-4-methylphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 35509752
4-methyl-2-morpholin-4-yl-N'-(thiophene-3-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 25446747
4-methyl-2-morpholin-4-yl-N'-(2-phenoxyacetyl)-1,3-thiazole-5-carbohydrazide
CID 26554798
4-methyl-N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25444482
N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 154568714
2-benzyl-4-methyl-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 39912237
4-methyl-N'-[2-(4-methylphenyl)acetyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 17446856
N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25446089
4-methyl-2-morpholin-4-yl-N'-(2-phenylbutanoyl)-1,3-thiazole-5-carbohydrazide
CID 46532195
N'-[2-(4-chlorophenyl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25445255

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide (CID 26950906) is 4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide is Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cccs1.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is AIWVOPPZEFTYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S3/c1-9-11(23-13(14-9)17-4-6-21-7-5-17)12(18)15-16-24(19,20)10-3-2-8-22-10/h2-3,8,16H,4-7H2,1H3,(H,15,18).
What are the key properties of 4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide?
4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 388.50 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-yl-N'-thiophen-2-ylsulfonyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 26950906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).