(4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C16H21N5OS2 — CID 56900590

IUPAC(4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCc1ncsc1C(=O)N1CCn2nc(CN3CCSCC3)cc2C1
InChIInChI=1S/C16H21N5OS2/c1-12-15(24-11-17-12)16(22)20-2-3-21-14(10-20)8-13(18-21)9-19-4-6-23-7-5-19/h8,11H,2-7,9-10H2,1H3
InChIKeyVHYNFHRFDKPNDB-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.85
Rot. Bonds3

About (4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 56900590) has the molecular formula C16H21N5OS2 and a molecular weight of 363.51 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID56900590
Molecular FormulaC16H21N5OS2
Molecular Weight363.51 g/mol
Exact Mass363.12
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCc1ncsc1C(=O)N1CCn2nc(CN3CCSCC3)cc2C1
InChIInChI=1S/C16H21N5OS2/c1-12-15(24-11-17-12)16(22)20-2-3-21-14(10-20)8-13(18-21)9-19-4-6-23-7-5-19/h8,11H,2-7,9-10H2,1H3
InChIKeyVHYNFHRFDKPNDB-UHFFFAOYSA-N
XLogP1.85
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-2-(1,3-thiazol-2-yl)piperidine
CID 45197361
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 53620682
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779791
(2,5-Dimethylpyrazol-3-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56819387
N,N-dimethyl-2-({[(4-methyl-1,3-thiazol-5-yl)carbonyl]amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide
CID 70732355
(1,5-Dimethylpyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145417
4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 74230817
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-isopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50950417
N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50973946
(2,4-Dimethylthiazol-5-yl)(4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl)methanone
CID 91816932
N-hydroxy-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 53475968
ethane;2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 145589933

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 56900590) is (4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is Cc1ncsc1C(=O)N1CCn2nc(CN3CCSCC3)cc2C1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is VHYNFHRFDKPNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS2/c1-12-15(24-11-17-12)16(22)20-2-3-21-14(10-20)8-13(18-21)9-19-4-6-23-7-5-19/h8,11H,2-7,9-10H2,1H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 363.51 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 56900590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).