3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide

C14H15ClN4S — CID 107060208

IUPAC3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCc3sccc3C2C)c1Cl
InChIInChI=1S/C14H15ClN4S/c1-8-9-4-7-20-11(9)3-6-19(8)14-12(15)10(13(16)17)2-5-18-14/h2,4-5,7-8H,3,6H2,1H3,(H3,16,17)
InChIKeyYIAVOZYULQGRGP-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.20
Rot. Bonds2

About 3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide

3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide (PubChem CID 107060208) has the molecular formula C14H15ClN4S and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide
PubChem CID107060208
Molecular FormulaC14H15ClN4S
Molecular Weight306.82 g/mol
Exact Mass306.07
IUPAC Name3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCc3sccc3C2C)c1Cl
InChIInChI=1S/C14H15ClN4S/c1-8-9-4-7-20-11(9)3-6-19(8)14-12(15)10(13(16)17)2-5-18-14/h2,4-5,7-8H,3,6H2,1H3,(H3,16,17)
InChIKeyYIAVOZYULQGRGP-UHFFFAOYSA-N
XLogP3.20
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide (CID 107060208) is 3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N2CCc3sccc3C2C)c1Cl.
What is the InChIKey of 3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide?
The InChIKey is YIAVOZYULQGRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S/c1-8-9-4-7-20-11(9)3-6-19(8)14-12(15)10(13(16)17)2-5-18-14/h2,4-5,7-8H,3,6H2,1H3,(H3,16,17).
What are the key properties of 3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide?
3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide has a molecular weight of 306.82 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboximidamide is sourced from PubChem (CID 107060208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).