N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide

C18H20N4OS2 — CID 28956008

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide
SMILESCCc1csc(CNC(=O)c2ccc(N(C)Cc3cccs3)nc2)n1
InChIInChI=1S/C18H20N4OS2/c1-3-14-12-25-17(21-14)10-20-18(23)13-6-7-16(19-9-13)22(2)11-15-5-4-8-24-15/h4-9,12H,3,10-11H2,1-2H3,(H,20,23)
InChIKeyTVIIWGTYLXRZSK-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.73
Rot. Bonds7

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide (PubChem CID 28956008) has the molecular formula C18H20N4OS2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide
PubChem CID28956008
Molecular FormulaC18H20N4OS2
Molecular Weight372.52 g/mol
Exact Mass372.11
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide
SMILESCCc1csc(CNC(=O)c2ccc(N(C)Cc3cccs3)nc2)n1
InChIInChI=1S/C18H20N4OS2/c1-3-14-12-25-17(21-14)10-20-18(23)13-6-7-16(19-9-13)22(2)11-15-5-4-8-24-15/h4-9,12H,3,10-11H2,1-2H3,(H,20,23)
InChIKeyTVIIWGTYLXRZSK-UHFFFAOYSA-N
XLogP3.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide (CID 28956008) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide is CCc1csc(CNC(=O)c2ccc(N(C)Cc3cccs3)nc2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide?
The InChIKey is TVIIWGTYLXRZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS2/c1-3-14-12-25-17(21-14)10-20-18(23)13-6-7-16(19-9-13)22(2)11-15-5-4-8-24-15/h4-9,12H,3,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 28956008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).