3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine

C14H11Cl2N3OS — CID 170949399

IUPAC3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine
SMILESClc1ccc(NSc2cnc(C3CC3)o2)c2[nH]cc(Cl)c12
InChIInChI=1S/C14H11Cl2N3OS/c15-8-3-4-10(13-12(8)9(16)5-17-13)19-21-11-6-18-14(20-11)7-1-2-7/h3-7,17,19H,1-2H2
InChIKeyZSGLHALUACPBPF-UHFFFAOYSA-N
MW340.24 g/mol
LogP5.46
Rot. Bonds4

About 3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine

3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine (PubChem CID 170949399) has the molecular formula C14H11Cl2N3OS and a molecular weight of 340.24 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine.

Molecular Properties

Compound Name3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine
PubChem CID170949399
Molecular FormulaC14H11Cl2N3OS
Molecular Weight340.24 g/mol
Exact Mass339.00
IUPAC Name3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine
SMILESClc1ccc(NSc2cnc(C3CC3)o2)c2[nH]cc(Cl)c12
InChIInChI=1S/C14H11Cl2N3OS/c15-8-3-4-10(13-12(8)9(16)5-17-13)19-21-11-6-18-14(20-11)7-1-2-7/h3-7,17,19H,1-2H2
InChIKeyZSGLHALUACPBPF-UHFFFAOYSA-N
XLogP5.46
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.24
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine?
The IUPAC name of 3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine (CID 170949399) is 3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine.
What is the SMILES notation for 3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine?
The canonical SMILES for 3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine is Clc1ccc(NSc2cnc(C3CC3)o2)c2[nH]cc(Cl)c12.
What is the InChIKey of 3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine?
The InChIKey is ZSGLHALUACPBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3OS/c15-8-3-4-10(13-12(8)9(16)5-17-13)19-21-11-6-18-14(20-11)7-1-2-7/h3-7,17,19H,1-2H2.
What are the key properties of 3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine?
3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine has a molecular weight of 340.24 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine is sourced from PubChem (CID 170949399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).