2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide

C16H19N3O4S2 — CID 47723403

IUPAC2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide
SMILESCC(C)(C)c1ncc(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C16H19N3O4S2/c1-16(2,3)15-17-9-12(24-15)14(21)19-18-13(20)10-5-7-11(8-6-10)25(4,22)23/h5-9H,1-4H3,(H,18,20)(H,19,21)
InChIKeyVSGFYWOENVATNU-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.92
Rot. Bonds3

About 2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide

2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 47723403) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide
PubChem CID47723403
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide
SMILESCC(C)(C)c1ncc(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C16H19N3O4S2/c1-16(2,3)15-17-9-12(24-15)14(21)19-18-13(20)10-5-7-11(8-6-10)25(4,22)23/h5-9H,1-4H3,(H,18,20)(H,19,21)
InChIKeyVSGFYWOENVATNU-UHFFFAOYSA-N
XLogP1.92
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.92
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

2-tert-butyl-1,3-thiazole-5-carbohydrazide
CID 82423621
5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
CID 9418358
5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
CID 38633334
4-methylsulfonyl-N'-phenylbenzohydrazide
CID 15453816
2-tert-butyl-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 95155780
N'-(3-methylbutanoyl)-4-methylsulfonylbenzohydrazide
CID 41387558
4-methylsulfonylbenzohydrazide
CID 11042107
4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide
CID 34969110
3-methyl-5-[(4-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16771048
2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide
CID 51093442
[4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 47893545
N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
CID 16583790

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide (CID 47723403) is 2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide is CC(C)(C)c1ncc(C(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)s1.
What is the InChIKey of 2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is VSGFYWOENVATNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-16(2,3)15-17-9-12(24-15)14(21)19-18-13(20)10-5-7-11(8-6-10)25(4,22)23/h5-9H,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide?
2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 381.48 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N'-(4-methylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 47723403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).