N'-piperidin-3-yl-2-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1,3-thiazole-4-carboximidamide

C17H20N6S — CID 129229639

IUPACN'-piperidin-3-yl-2-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1,3-thiazole-4-carboximidamide
SMILESN/C(=N\C1CCCNC1)c1csc(Cn2ccc3ccncc32)n1
InChIInChI=1S/C17H20N6S/c18-17(21-13-2-1-5-19-8-13)14-11-24-16(22-14)10-23-7-4-12-3-6-20-9-15(12)23/h3-4,6-7,9,11,13,19H,1-2,5,8,10H2,(H2,18,21)
InChIKeyUYMIGQCUNRYNLJ-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.00
Rot. Bonds4

About N'-piperidin-3-yl-2-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1,3-thiazole-4-carboximidamide

N'-piperidin-3-yl-2-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1,3-thiazole-4-carboximidamide (PubChem CID 129229639) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is N'-piperidin-3-yl-2-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1,3-thiazole-4-carboximidamide.

Molecular Properties

Compound NameN'-piperidin-3-yl-2-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1,3-thiazole-4-carboximidamide
PubChem CID129229639
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC NameN'-piperidin-3-yl-2-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1,3-thiazole-4-carboximidamide
SMILESN/C(=N\C1CCCNC1)c1csc(Cn2ccc3ccncc32)n1
InChIInChI=1S/C17H20N6S/c18-17(21-13-2-1-5-19-8-13)14-11-24-16(22-14)10-23-7-4-12-3-6-20-9-15(12)23/h3-4,6-7,9,11,13,19H,1-2,5,8,10H2,(H2,18,21)
InChIKeyUYMIGQCUNRYNLJ-UHFFFAOYSA-N
XLogP2.00
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-butyl-N'-piperidin-3-yl-1,3-thiazole-4-carboximidamide;ethane;(2Z,4Z,5Z,7E)-4-ethylidene-5-methyldeca-2,5,7-triene
CID 145324173
5-[(5-methylpyrrolo[3,2-c]pyridin-5-ium-1-yl)methyl]-N'-piperidin-3-ylfuran-3-carboximidamide
CID 140790663
3-chloro-5-fluoro-N'-piperidin-4-yl-4-(pyrrolo[3,2-c]pyridin-1-ylmethyl)benzenecarboximidamide
CID 145324080
1-(4-aminopiperidin-1-yl)-2-pyrrolo[2,3-c]pyridin-1-ylethanone
CID 92577999
2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 115089037
4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 172581981
[5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophen-3-yl]carbamoylcarbamic acid
CID 129204289
3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid
CID 175725939
N'-hydroxy-1-(1,3-thiazol-2-ylmethyl)indole-5-carboximidamide
CID 107920769
(2S)-2-amino-1-[(1S,5S)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 124828307
2-(4-phenyl-1,3-thiazol-2-yl)-1-piperidin-3-ylethanol
CID 80559303
(1R,5R)-8-(pyridin-3-ylmethyl)-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98063435

Frequently Asked Questions

What is the IUPAC name of N'-piperidin-3-yl-2-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1,3-thiazole-4-carboximidamide?
The IUPAC name of N'-piperidin-3-yl-2-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1,3-thiazole-4-carboximidamide (CID 129229639) is N'-piperidin-3-yl-2-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1,3-thiazole-4-carboximidamide.
What is the SMILES notation for N'-piperidin-3-yl-2-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1,3-thiazole-4-carboximidamide?
The canonical SMILES for N'-piperidin-3-yl-2-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1,3-thiazole-4-carboximidamide is N/C(=N\C1CCCNC1)c1csc(Cn2ccc3ccncc32)n1.
What is the InChIKey of N'-piperidin-3-yl-2-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1,3-thiazole-4-carboximidamide?
The InChIKey is UYMIGQCUNRYNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c18-17(21-13-2-1-5-19-8-13)14-11-24-16(22-14)10-23-7-4-12-3-6-20-9-15(12)23/h3-4,6-7,9,11,13,19H,1-2,5,8,10H2,(H2,18,21).
What are the key properties of N'-piperidin-3-yl-2-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1,3-thiazole-4-carboximidamide?
N'-piperidin-3-yl-2-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1,3-thiazole-4-carboximidamide has a molecular weight of 340.46 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-piperidin-3-yl-2-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-1,3-thiazole-4-carboximidamide is sourced from PubChem (CID 129229639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).