N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C16H21N3OS2 — CID 71938852

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)N2CCc3sccc3C2C)s1
InChIInChI=1S/C16H21N3OS2/c1-9-15(22-12(4)17-9)10(2)18-16(20)19-7-5-14-13(11(19)3)6-8-21-14/h6,8,10-11H,5,7H2,1-4H3,(H,18,20)
InChIKeyOFZPNYLUYSOSKZ-UHFFFAOYSA-N
MW335.50 g/mol
LogP4.21
Rot. Bonds2

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 71938852) has the molecular formula C16H21N3OS2 and a molecular weight of 335.50 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID71938852
Molecular FormulaC16H21N3OS2
Molecular Weight335.50 g/mol
Exact Mass335.11
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)N2CCc3sccc3C2C)s1
InChIInChI=1S/C16H21N3OS2/c1-9-15(22-12(4)17-9)10(2)18-16(20)19-7-5-14-13(11(19)3)6-8-21-14/h6,8,10-11H,5,7H2,1-4H3,(H,18,20)
InChIKeyOFZPNYLUYSOSKZ-UHFFFAOYSA-N
XLogP4.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 71938852) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is Cc1nc(C)c(C(C)NC(=O)N2CCc3sccc3C2C)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is OFZPNYLUYSOSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS2/c1-9-15(22-12(4)17-9)10(2)18-16(20)19-7-5-14-13(11(19)3)6-8-21-14/h6,8,10-11H,5,7H2,1-4H3,(H,18,20).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 335.50 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 71938852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).