N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide

C16H21N5OS — CID 124989644

IUPACN-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)N[C@@H](c1nccs1)C1CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C16H21N5OS/c1-11-17-6-3-14(19-11)21-8-4-13(5-9-21)15(20-12(2)22)16-18-7-10-23-16/h3,6-7,10,13,15H,4-5,8-9H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyOVUUQIBJOXHMMH-OAHLLOKOSA-N
MW331.45 g/mol
LogP2.34
Rot. Bonds4

About N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide

N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 124989644) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID124989644
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)N[C@@H](c1nccs1)C1CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C16H21N5OS/c1-11-17-6-3-14(19-11)21-8-4-13(5-9-21)15(20-12(2)22)16-18-7-10-23-16/h3,6-7,10,13,15H,4-5,8-9H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyOVUUQIBJOXHMMH-OAHLLOKOSA-N
XLogP2.34
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide (CID 124989644) is N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide is CC(=O)N[C@@H](c1nccs1)C1CCN(c2ccnc(C)n2)CC1.
What is the InChIKey of N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is OVUUQIBJOXHMMH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11-17-6-3-14(19-11)21-8-4-13(5-9-21)15(20-12(2)22)16-18-7-10-23-16/h3,6-7,10,13,15H,4-5,8-9H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 331.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 124989644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).