N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide

C18H17N3OS2 — CID 126825670

IUPACN-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide
SMILESC=CCN(C(=O)c1nccc2ccsc12)c1nc2c(s1)CCCC2
InChIInChI=1S/C18H17N3OS2/c1-2-10-21(18-20-13-5-3-4-6-14(13)24-18)17(22)15-16-12(7-9-19-15)8-11-23-16/h2,7-9,11H,1,3-6,10H2
InChIKeyIOSFMTWIMABRJV-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.46
Rot. Bonds4

About N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide

N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide (PubChem CID 126825670) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide
PubChem CID126825670
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC NameN-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide
SMILESC=CCN(C(=O)c1nccc2ccsc12)c1nc2c(s1)CCCC2
InChIInChI=1S/C18H17N3OS2/c1-2-10-21(18-20-13-5-3-4-6-14(13)24-18)17(22)15-16-12(7-9-19-15)8-11-23-16/h2,7-9,11H,1,3-6,10H2
InChIKeyIOSFMTWIMABRJV-UHFFFAOYSA-N
XLogP4.46
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide?
The IUPAC name of N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide (CID 126825670) is N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide is C=CCN(C(=O)c1nccc2ccsc12)c1nc2c(s1)CCCC2.
What is the InChIKey of N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide?
The InChIKey is IOSFMTWIMABRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-2-10-21(18-20-13-5-3-4-6-14(13)24-18)17(22)15-16-12(7-9-19-15)8-11-23-16/h2,7-9,11H,1,3-6,10H2.
What are the key properties of N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide?
N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thieno[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 126825670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).