2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide

C26H30N6O2S2 — CID 159721242

IUPAC2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1ncc(-c2ccncc2)s1.CC(C)(C)C(=O)Nc1ncc(-c2ccncc2)s1
InChIInChI=1S/2C13H15N3OS/c2*1-13(2,3)11(17)16-12-15-8-10(18-12)9-4-6-14-7-5-9/h2*4-8H,1-3H3,(H,15,16,17)
InChIKeyNABGXMXOKYIYAG-UHFFFAOYSA-N
MW522.70 g/mol
LogP6.38
Rot. Bonds4

About 2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide

2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 159721242) has the molecular formula C26H30N6O2S2 and a molecular weight of 522.70 g/mol. Its IUPAC name is 2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
PubChem CID159721242
Molecular FormulaC26H30N6O2S2
Molecular Weight522.70 g/mol
Exact Mass522.19
IUPAC Name2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1ncc(-c2ccncc2)s1.CC(C)(C)C(=O)Nc1ncc(-c2ccncc2)s1
InChIInChI=1S/2C13H15N3OS/c2*1-13(2,3)11(17)16-12-15-8-10(18-12)9-4-6-14-7-5-9/h2*4-8H,1-3H3,(H,15,16,17)
InChIKeyNABGXMXOKYIYAG-UHFFFAOYSA-N
XLogP6.38
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.70
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (CID 159721242) is 2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is CC(C)(C)C(=O)Nc1ncc(-c2ccncc2)s1.CC(C)(C)C(=O)Nc1ncc(-c2ccncc2)s1.
What is the InChIKey of 2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is NABGXMXOKYIYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N3OS/c2*1-13(2,3)11(17)16-12-15-8-10(18-12)9-4-6-14-7-5-9/h2*4-8H,1-3H3,(H,15,16,17).
What are the key properties of 2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 522.70 g/mol, XLogP of 6.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 159721242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).