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

C16H21N5OS2 — CID 71802619

IUPAC2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC1CC(C)CN(c2ccnc(SCC(=O)Nc3nccs3)n2)C1
InChIInChI=1S/C16H21N5OS2/c1-11-7-12(2)9-21(8-11)13-3-4-17-15(19-13)24-10-14(22)20-16-18-5-6-23-16/h3-6,11-12H,7-10H2,1-2H3,(H,18,20,22)
InChIKeyURNLDVNOSDEHAY-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.15
Rot. Bonds5

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

2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 71802619) has the molecular formula C16H21N5OS2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID71802619
Molecular FormulaC16H21N5OS2
Molecular Weight363.51 g/mol
Exact Mass363.12
IUPAC Name2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC1CC(C)CN(c2ccnc(SCC(=O)Nc3nccs3)n2)C1
InChIInChI=1S/C16H21N5OS2/c1-11-7-12(2)9-21(8-11)13-3-4-17-15(19-13)24-10-14(22)20-16-18-5-6-23-16/h3-6,11-12H,7-10H2,1-2H3,(H,18,20,22)
InChIKeyURNLDVNOSDEHAY-UHFFFAOYSA-N
XLogP3.15
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.15
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-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 71802619) is 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is CC1CC(C)CN(c2ccnc(SCC(=O)Nc3nccs3)n2)C1.
What is the InChIKey of 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is URNLDVNOSDEHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS2/c1-11-7-12(2)9-21(8-11)13-3-4-17-15(19-13)24-10-14(22)20-16-18-5-6-23-16/h3-6,11-12H,7-10H2,1-2H3,(H,18,20,22).
What are the key properties of 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 363.51 g/mol, XLogP of 3.15, 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-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71802619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).