N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

C20H15ClN4O2S — CID 55559724

IUPACN'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H15ClN4O2S/c1-11-17(28-20(22-11)12-5-3-2-4-6-12)19(27)25-24-18(26)16-10-13-9-14(21)7-8-15(13)23-16/h2-10,23H,1H3,(H,24,26)(H,25,27)
InChIKeyVTZMVNMRKRMZBD-UHFFFAOYSA-N
MW410.89 g/mol
LogP4.33
Rot. Bonds3

About N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 55559724) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID55559724
Molecular FormulaC20H15ClN4O2S
Molecular Weight410.89 g/mol
Exact Mass410.06
IUPAC NameN'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H15ClN4O2S/c1-11-17(28-20(22-11)12-5-3-2-4-6-12)19(27)25-24-18(26)16-10-13-9-14(21)7-8-15(13)23-16/h2-10,23H,1H3,(H,24,26)(H,25,27)
InChIKeyVTZMVNMRKRMZBD-UHFFFAOYSA-N
XLogP4.33
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide
CID 10293735
N'-(2-fluorobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970391
3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553417
2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 24513912
1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-(1,2,2-trichloroethenyl)urea
CID 2797681
N'-(4-bromobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439398
N'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 11474701
5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992565
N'-(2-chloro-4-nitrobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 46656729
5-chloro-N'-(2,3-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992512
N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 78784342
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (CID 55559724) is N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is VTZMVNMRKRMZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c1-11-17(28-20(22-11)12-5-3-2-4-6-12)19(27)25-24-18(26)16-10-13-9-14(21)7-8-15(13)23-16/h2-10,23H,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 410.89 g/mol, XLogP of 4.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 55559724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).