N-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C19H24N6OS — CID 142415601

IUPACN-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cc3cc(C)nc4ccnn34)C2)s1
InChIInChI=1S/C19H24N6OS/c1-13-8-16(25-18(22-13)5-6-21-25)9-15-4-3-7-24(11-15)12-17-10-20-19(27-17)23-14(2)26/h5-6,8,10,15H,3-4,7,9,11-12H2,1-2H3,(H,20,23,26)
InChIKeyJSKWTBWNFMOSGZ-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.91
Rot. Bonds5

About N-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415601) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415601
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC NameN-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cc3cc(C)nc4ccnn34)C2)s1
InChIInChI=1S/C19H24N6OS/c1-13-8-16(25-18(22-13)5-6-21-25)9-15-4-3-7-24(11-15)12-17-10-20-19(27-17)23-14(2)26/h5-6,8,10,15H,3-4,7,9,11-12H2,1-2H3,(H,20,23,26)
InChIKeyJSKWTBWNFMOSGZ-UHFFFAOYSA-N
XLogP2.91
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135074
N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491347
N-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415464
N-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500930
N-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415493
N-[5-[[3-[(2-ethyl-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135117
N-[5-[[(6R)-6-[(2,6-dimethyl-4-pyridinyl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629115
N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane
CID 160933841
N-[5-[[3-[(2-ethoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane
CID 157485346
N-[5-[[(3R)-3-[(5-fluoro-4,6-dimethylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 158570276
N-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415604
N-[5-[[3-[(5-methylpyridazin-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135529

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415601) is N-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC(Cc3cc(C)nc4ccnn34)C2)s1.
What is the InChIKey of N-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JSKWTBWNFMOSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-13-8-16(25-18(22-13)5-6-21-25)9-15-4-3-7-24(11-15)12-17-10-20-19(27-17)23-14(2)26/h5-6,8,10,15H,3-4,7,9,11-12H2,1-2H3,(H,20,23,26).
What are the key properties of N-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 384.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).