N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

C19H26N6S — CID 111088817

IUPACN'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESCC1Cc2ccccc2N1CC/N=C(\N)N1CCN(c2nccs2)CC1
InChIInChI=1S/C19H26N6S/c1-15-14-16-4-2-3-5-17(16)25(15)8-6-21-18(20)23-9-11-24(12-10-23)19-22-7-13-26-19/h2-5,7,13,15H,6,8-12,14H2,1H3,(H2,20,21)
InChIKeyIMCXWZMAAOQFPY-UHFFFAOYSA-N
MW370.53 g/mol
LogP2.03
Rot. Bonds4

About N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (PubChem CID 111088817) has the molecular formula C19H26N6S and a molecular weight of 370.53 g/mol. Its IUPAC name is N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
PubChem CID111088817
Molecular FormulaC19H26N6S
Molecular Weight370.53 g/mol
Exact Mass370.19
IUPAC NameN'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESCC1Cc2ccccc2N1CC/N=C(\N)N1CCN(c2nccs2)CC1
InChIInChI=1S/C19H26N6S/c1-15-14-16-4-2-3-5-17(16)25(15)8-6-21-18(20)23-9-11-24(12-10-23)19-22-7-13-26-19/h2-5,7,13,15H,6,8-12,14H2,1H3,(H2,20,21)
InChIKeyIMCXWZMAAOQFPY-UHFFFAOYSA-N
XLogP2.03
TPSA60.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]morpholine-4-carboximidamide
CID 111088775
N'-[2-(4-methylpiperidin-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111056721
N'-[2-(tert-butylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111803442
N'-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111073461
N'-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111071081
N'-[4-(4-methylpiperazin-1-yl)butyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111060215
N'-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111811028
N'-[3-(4-phenylpiperazin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111059099
N'-(2-piperidin-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111036881
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 110917258
N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111023210

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (CID 111088817) is N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is CC1Cc2ccccc2N1CC/N=C(\N)N1CCN(c2nccs2)CC1.
What is the InChIKey of N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The InChIKey is IMCXWZMAAOQFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6S/c1-15-14-16-4-2-3-5-17(16)25(15)8-6-21-18(20)23-9-11-24(12-10-23)19-22-7-13-26-19/h2-5,7,13,15H,6,8-12,14H2,1H3,(H2,20,21).
What are the key properties of N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide has a molecular weight of 370.53 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 111088817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).