N-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

C16H20N4O2S — CID 75496137

IUPACN-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ncc(C)cc1NCc1csc(N(C(C)=O)C2CC2)n1
InChIInChI=1S/C16H20N4O2S/c1-10-6-14(15(22-3)18-7-10)17-8-12-9-23-16(19-12)20(11(2)21)13-4-5-13/h6-7,9,13,17H,4-5,8H2,1-3H3
InChIKeyONEAZVMUWHBRHW-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.98
Rot. Bonds6

About N-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

N-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 75496137) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID75496137
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ncc(C)cc1NCc1csc(N(C(C)=O)C2CC2)n1
InChIInChI=1S/C16H20N4O2S/c1-10-6-14(15(22-3)18-7-10)17-8-12-9-23-16(19-12)20(11(2)21)13-4-5-13/h6-7,9,13,17H,4-5,8H2,1-3H3
InChIKeyONEAZVMUWHBRHW-UHFFFAOYSA-N
XLogP2.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 75496137) is N-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is COc1ncc(C)cc1NCc1csc(N(C(C)=O)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ONEAZVMUWHBRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10-6-14(15(22-3)18-7-10)17-8-12-9-23-16(19-12)20(11(2)21)13-4-5-13/h6-7,9,13,17H,4-5,8H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 75496137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).