3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane

C15H18ClN3OS — CID 177228565

IUPAC3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane
SMILESCC.CCc1ncc(SNc2cccc3c(Cl)c[nH]c23)o1
InChIInChI=1S/C13H12ClN3OS.C2H6/c1-2-11-15-7-12(18-11)19-17-10-5-3-4-8-9(14)6-16-13(8)10;1-2/h3-7,16-17H,2H2,1H3;1-2H3
InChIKeyYLHBEEOKBXVVEN-UHFFFAOYSA-N
MW323.85 g/mol
LogP5.52
Rot. Bonds4

About 3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane

3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane (PubChem CID 177228565) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane.

Molecular Properties

Compound Name3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane
PubChem CID177228565
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane
SMILESCC.CCc1ncc(SNc2cccc3c(Cl)c[nH]c23)o1
InChIInChI=1S/C13H12ClN3OS.C2H6/c1-2-11-15-7-12(18-11)19-17-10-5-3-4-8-9(14)6-16-13(8)10;1-2/h3-7,16-17H,2H2,1H3;1-2H3
InChIKeyYLHBEEOKBXVVEN-UHFFFAOYSA-N
XLogP5.52
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.85
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(3-chloro-1H-indol-7-yl)amino]sulfanyl-1,3-thiazol-5-yl]oxetan-3-ol;ethane
CID 177228555
3-[5-[(3-chloro-1H-indol-7-yl)amino]sulfanyl-1,3-thiazol-2-yl]oxetan-3-ol
CID 170949549
4-[(3-chloro-1H-indol-7-yl)amino]sulfanylbenzenesulfonamide
CID 169181732
3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine
CID 170949399
N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide
CID 170949429
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine
CID 168580069
7-[[2-(fluoromethyl)-1,3-thiazol-5-yl]sulfanylamino]-1H-indole-3-carbonitrile
CID 170949823
N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide
CID 171055487
(3-chloro-1H-indol-7-yl)methanol
CID 84658243
N-(3-chloro-1H-indol-7-yl)benzenesulfinamide
CID 156886329
ethane;7-[[5-(hydroxymethyl)thiophen-3-yl]sulfanylamino]-1H-indole-3-carbonitrile
CID 177228457
N-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine
CID 117286523

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane?
The IUPAC name of 3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane (CID 177228565) is 3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane.
What is the SMILES notation for 3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane?
The canonical SMILES for 3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane is CC.CCc1ncc(SNc2cccc3c(Cl)c[nH]c23)o1.
What is the InChIKey of 3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane?
The InChIKey is YLHBEEOKBXVVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS.C2H6/c1-2-11-15-7-12(18-11)19-17-10-5-3-4-8-9(14)6-16-13(8)10;1-2/h3-7,16-17H,2H2,1H3;1-2H3.
What are the key properties of 3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane?
3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane has a molecular weight of 323.85 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-ethyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine;ethane is sourced from PubChem (CID 177228565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).