N-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H23N5OS — CID 97004619

IUPACN-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(C)c1nc(CN2CCC[C@@H](c3cc(C)[nH]n3)C2)cs1
InChIInChI=1S/C16H23N5OS/c1-11-7-15(19-18-11)13-5-4-6-21(8-13)9-14-10-23-16(17-14)20(3)12(2)22/h7,10,13H,4-6,8-9H2,1-3H3,(H,18,19)/t13-/m1/s1
InChIKeyOJNMRPJQBPIZCX-CYBMUJFWSA-N
MW333.46 g/mol
LogP2.54
Rot. Bonds4

About N-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 97004619) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID97004619
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(C)c1nc(CN2CCC[C@@H](c3cc(C)[nH]n3)C2)cs1
InChIInChI=1S/C16H23N5OS/c1-11-7-15(19-18-11)13-5-4-6-21(8-13)9-14-10-23-16(17-14)20(3)12(2)22/h7,10,13H,4-6,8-9H2,1-3H3,(H,18,19)/t13-/m1/s1
InChIKeyOJNMRPJQBPIZCX-CYBMUJFWSA-N
XLogP2.54
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[4-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 97028668
N-cyclopropyl-N-[4-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 75514605
N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95769661
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004471
N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 111442466
4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid
CID 71926934
N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 96514191
(3R)-1-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide
CID 8543369
1-methyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
CID 71926955
N-[4-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 26007800
N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97344338
2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71926963

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 97004619) is N-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(C)c1nc(CN2CCC[C@@H](c3cc(C)[nH]n3)C2)cs1.
What is the InChIKey of N-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OJNMRPJQBPIZCX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-11-7-15(19-18-11)13-5-4-6-21(8-13)9-14-10-23-16(17-14)20(3)12(2)22/h7,10,13H,4-6,8-9H2,1-3H3,(H,18,19)/t13-/m1/s1.
What are the key properties of N-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 333.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 97004619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).