N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

C19H15N3OS2 — CID 7163148

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccs3)sc2c1
InChIInChI=1S/C19H15N3OS2/c1-13-6-7-15-17(10-13)25-19(21-15)22(12-14-4-2-8-20-11-14)18(23)16-5-3-9-24-16/h2-11H,12H2,1H3
InChIKeyZZZBZSGETVNMMV-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.91
Rot. Bonds4

About N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 7163148) has the molecular formula C19H15N3OS2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
PubChem CID7163148
Molecular FormulaC19H15N3OS2
Molecular Weight365.48 g/mol
Exact Mass365.07
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccs3)sc2c1
InChIInChI=1S/C19H15N3OS2/c1-13-6-7-15-17(10-13)25-19(21-15)22(12-14-4-2-8-20-11-14)18(23)16-5-3-9-24-16/h2-11H,12H2,1H3
InChIKeyZZZBZSGETVNMMV-UHFFFAOYSA-N
XLogP4.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (CID 7163148) is N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccs3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is ZZZBZSGETVNMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS2/c1-13-6-7-15-17(10-13)25-19(21-15)22(12-14-4-2-8-20-11-14)18(23)16-5-3-9-24-16/h2-11H,12H2,1H3.
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 7163148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).