4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine

C11H8N4O2S — CID 43152085

IUPAC4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2c[nH]c3ccc([N+](=O)[O-])cc23)cs1
InChIInChI=1S/C11H8N4O2S/c12-11-14-10(5-18-11)8-4-13-9-2-1-6(15(16)17)3-7(8)9/h1-5,13H,(H2,12,14)
InChIKeyJCMCZRHPVLBZSD-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.78
Rot. Bonds2

About 4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine

4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine (PubChem CID 43152085) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine
PubChem CID43152085
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2c[nH]c3ccc([N+](=O)[O-])cc23)cs1
InChIInChI=1S/C11H8N4O2S/c12-11-14-10(5-18-11)8-4-13-9-2-1-6(15(16)17)3-7(8)9/h1-5,13H,(H2,12,14)
InChIKeyJCMCZRHPVLBZSD-UHFFFAOYSA-N
XLogP2.78
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-(2-amino-1,3-thiazol-4-yl)-6-nitrochromen-2-one
CID 3123886
6,7-dimethyl-2-(5-nitro-1H-indol-3-yl)quinoxaline
CID 71299838
4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazol-2-amine
CID 102626837
4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 62047236
methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
CID 158561072
4-[2,5-dimethyl-1-[(4-nitrophenyl)methyl]pyrrol-3-yl]-1,3-thiazol-2-amine
CID 23008588
5-nitro-1H-indole-3-sulfinic acid
CID 165454900
3-(2,3-dimethoxynaphthalen-1-yl)-5-nitro-1H-indole
CID 59364243
(2-methoxy-2-oxoethyl) 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate
CID 10662398
1-(5-nitro-1H-indol-3-yl)pyrrole-2,5-dione
CID 70365665
N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-3-nitrobenzenesulfonamide
CID 100974632
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide
CID 112821488

Frequently Asked Questions

What is the IUPAC name of 4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine (CID 43152085) is 4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine is Nc1nc(-c2c[nH]c3ccc([N+](=O)[O-])cc23)cs1.
What is the InChIKey of 4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is JCMCZRHPVLBZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c12-11-14-10(5-18-11)8-4-13-9-2-1-6(15(16)17)3-7(8)9/h1-5,13H,(H2,12,14).
What are the key properties of 4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine?
4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 260.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitro-1H-indol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 43152085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).