2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane

C16H23N3OS — CID 145125122

IUPAC2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane
SMILESCC.CC.NNC(=O)c1c(N)sc2c1-c1ccccc1C2
InChIInChI=1S/C12H11N3OS.2C2H6/c13-11-10(12(16)15-14)9-7-4-2-1-3-6(7)5-8(9)17-11;2*1-2/h1-4H,5,13-14H2,(H,15,16);2*1-2H3
InChIKeyROJZNGFSSMSEKM-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.56
Rot. Bonds1

About 2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane

2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane (PubChem CID 145125122) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane.

Molecular Properties

Compound Name2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane
PubChem CID145125122
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane
SMILESCC.CC.NNC(=O)c1c(N)sc2c1-c1ccccc1C2
InChIInChI=1S/C12H11N3OS.2C2H6/c13-11-10(12(16)15-14)9-7-4-2-1-3-6(7)5-8(9)17-11;2*1-2/h1-4H,5,13-14H2,(H,15,16);2*1-2H3
InChIKeyROJZNGFSSMSEKM-UHFFFAOYSA-N
XLogP3.56
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-methyl-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
CID 43174781
(2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone
CID 43174852
2-amino-N-cyclopropyl-4,5-dihydrobenzo[e][1]benzothiole-1-carboxamide
CID 43367263
1-(4-amino-5-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-3-yl)ethanone
CID 65354731
2-[(3-oxo-8-thia-4,6-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaen-5-yl)sulfanyl]acetohydrazide
CID 45379745
4,5-dihydrobenzo[g][1]benzothiole-2-carbohydrazide
CID 2826309
ethane;9H-fluorene;propanoic acid
CID 90836645
2-amino-N,5-diethyl-4-(2-methoxyphenyl)thiophene-3-carboxamide
CID 82056852
ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
CID 143893495
methyl 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)acetate
CID 61336123
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219
2-amino-4H-indeno[1,2-b]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 69370652

Frequently Asked Questions

What is the IUPAC name of 2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane?
The IUPAC name of 2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane (CID 145125122) is 2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane.
What is the SMILES notation for 2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane?
The canonical SMILES for 2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane is CC.CC.NNC(=O)c1c(N)sc2c1-c1ccccc1C2.
What is the InChIKey of 2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane?
The InChIKey is ROJZNGFSSMSEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS.2C2H6/c13-11-10(12(16)15-14)9-7-4-2-1-3-6(7)5-8(9)17-11;2*1-2/h1-4H,5,13-14H2,(H,15,16);2*1-2H3.
What are the key properties of 2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane?
2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane has a molecular weight of 305.45 g/mol, XLogP of 3.56, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4H-indeno[2,1-b]thiophene-1-carbohydrazide;ethane is sourced from PubChem (CID 145125122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).