2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H23N5O2S — CID 71802616

IUPAC2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nccc(N3CC(C)CC(C)C3)n2)no1
InChIInChI=1S/C17H23N5O2S/c1-11-6-12(2)9-22(8-11)15-4-5-18-17(20-15)25-10-16(23)19-14-7-13(3)24-21-14/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,19,21,23)
InChIKeySZVUYNSRWGFTMZ-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.99
Rot. Bonds5

About 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 71802616) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID71802616
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nccc(N3CC(C)CC(C)C3)n2)no1
InChIInChI=1S/C17H23N5O2S/c1-11-6-12(2)9-22(8-11)15-4-5-18-17(20-15)25-10-16(23)19-14-7-13(3)24-21-14/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,19,21,23)
InChIKeySZVUYNSRWGFTMZ-UHFFFAOYSA-N
XLogP2.99
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 71802616) is 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nccc(N3CC(C)CC(C)C3)n2)no1.
What is the InChIKey of 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is SZVUYNSRWGFTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-11-6-12(2)9-22(8-11)15-4-5-18-17(20-15)25-10-16(23)19-14-7-13(3)24-21-14/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,19,21,23).
What are the key properties of 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 71802616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).