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

C14H20N6OS — CID 95609974

IUPACN-methyl-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCN(C(=O)CN1CCCC[C@@H]1Cn1cncn1)c1nccs1
InChIInChI=1S/C14H20N6OS/c1-18(14-16-5-7-22-14)13(21)9-19-6-3-2-4-12(19)8-20-11-15-10-17-20/h5,7,10-12H,2-4,6,8-9H2,1H3/t12-/m1/s1
InChIKeyHQSHPRWJYWEJAL-GFCCVEGCSA-N
MW320.42 g/mol
LogP1.25
Rot. Bonds5

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

N-methyl-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 95609974) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID95609974
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC NameN-methyl-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCN(C(=O)CN1CCCC[C@@H]1Cn1cncn1)c1nccs1
InChIInChI=1S/C14H20N6OS/c1-18(14-16-5-7-22-14)13(21)9-19-6-3-2-4-12(19)8-20-11-15-10-17-20/h5,7,10-12H,2-4,6,8-9H2,1H3/t12-/m1/s1
InChIKeyHQSHPRWJYWEJAL-GFCCVEGCSA-N
XLogP1.25
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 95609974) is N-methyl-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is CN(C(=O)CN1CCCC[C@@H]1Cn1cncn1)c1nccs1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is HQSHPRWJYWEJAL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-18(14-16-5-7-22-14)13(21)9-19-6-3-2-4-12(19)8-20-11-15-10-17-20/h5,7,10-12H,2-4,6,8-9H2,1H3/t12-/m1/s1.
What are the key properties of N-methyl-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-methyl-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 320.42 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95609974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).