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

C17H16N4OS — CID 972499

IUPACN-[4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1
InChIInChI=1S/C17H16N4OS/c1-11-7-8-18-16(9-11)21-17-20-15(10-23-17)13-3-5-14(6-4-13)19-12(2)22/h3-10H,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyGNFJTRBLUFVMGS-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.22
Rot. Bonds4

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

N-[4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 972499) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID972499
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-[4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1
InChIInChI=1S/C17H16N4OS/c1-11-7-8-18-16(9-11)21-17-20-15(10-23-17)13-3-5-14(6-4-13)19-12(2)22/h3-10H,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyGNFJTRBLUFVMGS-UHFFFAOYSA-N
XLogP4.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide (CID 972499) is N-[4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1.
What is the InChIKey of N-[4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is GNFJTRBLUFVMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-11-7-8-18-16(9-11)21-17-20-15(10-23-17)13-3-5-14(6-4-13)19-12(2)22/h3-10H,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 324.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 972499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).