2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride

C18H19ClN4O2S2 — CID 163326048

About 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride (PubChem CID 163326048) has the molecular formula C18H19ClN4O2S2 and a molecular weight of 422.96 g/mol. Its IUPAC name is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride
• PubChem CID: 163326048
• Molecular Formula: C18H19ClN4O2S2
• Molecular Weight: 422.96 g/mol
• Exact Mass: 422.06
• IUPAC Name: 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride
• SMILES: CCC(Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1.Cl
• InChI: InChI=1S/C18H18N4O2S2.ClH/c1-3-14(26-18-19-11(2)9-15(23)21-18)16(24)22-17-20-13(10-25-17)12-7-5-4-6-8-12;/h4-10,14H,3H2,1-2H3,(H,19,21,23)(H,20,22,24);1H
• InChIKey: ZBLMHIRECPGKOO-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.96
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride?

The IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride (CID 163326048) is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride.

What is the SMILES notation for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride?

The canonical SMILES for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride is CCC(Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1.Cl.

What is the InChIKey of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride?

The InChIKey is ZBLMHIRECPGKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2.ClH/c1-3-14(26-18-19-11(2)9-15(23)21-18)16(24)22-17-20-13(10-25-17)12-7-5-4-6-8-12;/h4-10,14H,3H2,1-2H3,(H,19,21,23)(H,20,22,24);1H.

What are the key properties of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride?

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride has a molecular weight of 422.96 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 163326048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).