N-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide

C16H21N5OS — CID 175655071

IUPACN-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2nccnc2CC2CCCNC2)s1
InChIInChI=1S/C16H21N5OS/c1-10-15(23-16(20-10)21-11(2)22)14-13(18-6-7-19-14)8-12-4-3-5-17-9-12/h6-7,12,17H,3-5,8-9H2,1-2H3,(H,20,21,22)
InChIKeyKTRWGIWMFSPGLN-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.41
Rot. Bonds4

About N-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 175655071) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID175655071
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2nccnc2CC2CCCNC2)s1
InChIInChI=1S/C16H21N5OS/c1-10-15(23-16(20-10)21-11(2)22)14-13(18-6-7-19-14)8-12-4-3-5-17-9-12/h6-7,12,17H,3-5,8-9H2,1-2H3,(H,20,21,22)
InChIKeyKTRWGIWMFSPGLN-UHFFFAOYSA-N
XLogP2.41
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methyl-1H-pyrazol-3-yl)-3-[[(3R)-piperidin-3-yl]methyl]pyrazine
CID 124948496
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CID 110102127
N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-3-ylacetamide
CID 166728483
3-[(3-methyl-2-pyridinyl)methyl]azepane
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N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 82176640
4-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119459915
N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide
CID 64555532
4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine
CID 105474903
4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119555064
5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 84792288
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-piperidin-3-ylacetamide
CID 62676677
4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
CID 84638390

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide (CID 175655071) is N-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2nccnc2CC2CCCNC2)s1.
What is the InChIKey of N-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KTRWGIWMFSPGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-10-15(23-16(20-10)21-11(2)22)14-13(18-6-7-19-14)8-12-4-3-5-17-9-12/h6-7,12,17H,3-5,8-9H2,1-2H3,(H,20,21,22).
What are the key properties of N-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 331.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[3-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 175655071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).