2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide

C19H22N4OS2 — CID 110221966

IUPAC2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
SMILESCc1csc(C(Cc2ccsc2)NC(=O)CN(C)Cc2cccnc2)n1
InChIInChI=1S/C19H22N4OS2/c1-14-12-26-19(21-14)17(8-15-5-7-25-13-15)22-18(24)11-23(2)10-16-4-3-6-20-9-16/h3-7,9,12-13,17H,8,10-11H2,1-2H3,(H,22,24)
InChIKeyNLXWZARYTJXAKN-UHFFFAOYSA-N
MW386.55 g/mol
LogP3.44
Rot. Bonds8

About 2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide

2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide (PubChem CID 110221966) has the molecular formula C19H22N4OS2 and a molecular weight of 386.55 g/mol. Its IUPAC name is 2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
PubChem CID110221966
Molecular FormulaC19H22N4OS2
Molecular Weight386.55 g/mol
Exact Mass386.12
IUPAC Name2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
SMILESCc1csc(C(Cc2ccsc2)NC(=O)CN(C)Cc2cccnc2)n1
InChIInChI=1S/C19H22N4OS2/c1-14-12-26-19(21-14)17(8-15-5-7-25-13-15)22-18(24)11-23(2)10-16-4-3-6-20-9-16/h3-7,9,12-13,17H,8,10-11H2,1-2H3,(H,22,24)
InChIKeyNLXWZARYTJXAKN-UHFFFAOYSA-N
XLogP3.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide?
The IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide (CID 110221966) is 2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide.
What is the SMILES notation for 2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide?
The canonical SMILES for 2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide is Cc1csc(C(Cc2ccsc2)NC(=O)CN(C)Cc2cccnc2)n1.
What is the InChIKey of 2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide?
The InChIKey is NLXWZARYTJXAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS2/c1-14-12-26-19(21-14)17(8-15-5-7-25-13-15)22-18(24)11-23(2)10-16-4-3-6-20-9-16/h3-7,9,12-13,17H,8,10-11H2,1-2H3,(H,22,24).
What are the key properties of 2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide?
2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide has a molecular weight of 386.55 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-3-ylmethyl)amino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide is sourced from PubChem (CID 110221966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).