N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide

C18H17N3OS — CID 22993732

IUPACN-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cc(C)cc(C)c2)c(-c2cccnc2)s1
InChIInChI=1S/C18H17N3OS/c1-11-7-12(2)9-15(8-11)16-17(14-5-4-6-19-10-14)23-18(21-16)20-13(3)22/h4-10H,1-3H3,(H,20,21,22)
InChIKeyDPAGZXBCPKMLAP-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.45
Rot. Bonds3

About N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide

N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide (PubChem CID 22993732) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide
PubChem CID22993732
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cc(C)cc(C)c2)c(-c2cccnc2)s1
InChIInChI=1S/C18H17N3OS/c1-11-7-12(2)9-15(8-11)16-17(14-5-4-6-19-10-14)23-18(21-16)20-13(3)22/h4-10H,1-3H3,(H,20,21,22)
InChIKeyDPAGZXBCPKMLAP-UHFFFAOYSA-N
XLogP4.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide (CID 22993732) is N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cc(C)cc(C)c2)c(-c2cccnc2)s1.
What is the InChIKey of N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide?
The InChIKey is DPAGZXBCPKMLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-11-7-12(2)9-15(8-11)16-17(14-5-4-6-19-10-14)23-18(21-16)20-13(3)22/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide?
N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide has a molecular weight of 323.42 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22993732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).