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

C20H15ClN4O2S — CID 24513912

IUPAC2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H15ClN4O2S/c1-11-17(28-20(23-11)12-6-8-13(21)9-7-12)19(27)25-24-18(26)15-10-22-16-5-3-2-4-14(15)16/h2-10,22H,1H3,(H,24,26)(H,25,27)
InChIKeyMKVADUVQSSEOAM-UHFFFAOYSA-N
MW410.89 g/mol
LogP4.33
Rot. Bonds3

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

2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide (PubChem CID 24513912) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
PubChem CID24513912
Molecular FormulaC20H15ClN4O2S
Molecular Weight410.89 g/mol
Exact Mass410.06
IUPAC Name2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H15ClN4O2S/c1-11-17(28-20(23-11)12-6-8-13(21)9-7-12)19(27)25-24-18(26)15-10-22-16-5-3-2-4-14(15)16/h2-10,22H,1H3,(H,24,26)(H,25,27)
InChIKeyMKVADUVQSSEOAM-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

2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 24513901
2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 134061924
2-(4-fluorophenyl)-4-methyl-N'-(2-methylbenzoyl)-1,3-thiazole-5-carbohydrazide
CID 46636454
N'-(2-fluorobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970391
N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55559724
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 66832036
N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 30544350
4-methyl-N'-(1-methylindole-3-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9160995
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide
CID 107301351
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
[4-(4-chloroanilino)-2-(4-methylanilino)-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone
CID 46193763

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide (CID 24513912) is 2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is MKVADUVQSSEOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c1-11-17(28-20(23-11)12-6-8-13(21)9-7-12)19(27)25-24-18(26)15-10-22-16-5-3-2-4-14(15)16/h2-10,22H,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-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 2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 24513912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).