N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide

C18H12ClN5O3S — CID 11976018

IUPACN'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide
SMILESO=C(NNc1nc(-c2ccc(Cl)cc2)cs1)c1cc2ccc([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C18H12ClN5O3S/c19-12-4-1-10(2-5-12)16-9-28-18(21-16)23-22-17(25)15-7-11-3-6-13(24(26)27)8-14(11)20-15/h1-9,20H,(H,21,23)(H,22,25)
InChIKeyDYBPJXIYTDUYPB-UHFFFAOYSA-N
MW413.85 g/mol
LogP4.61
Rot. Bonds5

About N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide

N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide (PubChem CID 11976018) has the molecular formula C18H12ClN5O3S and a molecular weight of 413.85 g/mol. Its IUPAC name is N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide
PubChem CID11976018
Molecular FormulaC18H12ClN5O3S
Molecular Weight413.85 g/mol
Exact Mass413.03
IUPAC NameN'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide
SMILESO=C(NNc1nc(-c2ccc(Cl)cc2)cs1)c1cc2ccc([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C18H12ClN5O3S/c19-12-4-1-10(2-5-12)16-9-28-18(21-16)23-22-17(25)15-7-11-3-6-13(24(26)27)8-14(11)20-15/h1-9,20H,(H,21,23)(H,22,25)
InChIKeyDYBPJXIYTDUYPB-UHFFFAOYSA-N
XLogP4.61
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.85
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-phenyl-1,3-thiazol-2-yl)-1H-indole-2-carbohydrazide
CID 132597210
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide
CID 72698043
N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carbohydrazide;hydrobromide
CID 71311862
N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide
CID 25096998
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 2315799
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406701
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzohydrazide
CID 1497726
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]nonanehydrazide
CID 2718859
4-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 2314903
4-(4-chlorophenyl)-N-[1-(4-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 2845173
2-chloro-4-nitro-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3910759
1-N,3-N-bis[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3602567

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide?
The IUPAC name of N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide (CID 11976018) is N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide.
What is the SMILES notation for N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide?
The canonical SMILES for N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide is O=C(NNc1nc(-c2ccc(Cl)cc2)cs1)c1cc2ccc([N+](=O)[O-])cc2[nH]1.
What is the InChIKey of N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide?
The InChIKey is DYBPJXIYTDUYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O3S/c19-12-4-1-10(2-5-12)16-9-28-18(21-16)23-22-17(25)15-7-11-3-6-13(24(26)27)8-14(11)20-15/h1-9,20H,(H,21,23)(H,22,25).
What are the key properties of N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide?
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide has a molecular weight of 413.85 g/mol, XLogP of 4.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide is sourced from PubChem (CID 11976018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).