N-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

C15H23N5O2S2 — CID 56914096

IUPACN-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1CCN(C)Cc1cc2n(n1)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C15H23N5O2S2/c1-12-15(23-11-16-12)4-5-18(2)9-13-8-14-10-19(24(3,21)22)6-7-20(14)17-13/h8,11H,4-7,9-10H2,1-3H3
InChIKeyQACQEUUXTLZJJW-UHFFFAOYSA-N
MW369.52 g/mol
LogP1.10
Rot. Bonds6

About N-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

N-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 56914096) has the molecular formula C15H23N5O2S2 and a molecular weight of 369.52 g/mol. Its IUPAC name is N-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID56914096
Molecular FormulaC15H23N5O2S2
Molecular Weight369.52 g/mol
Exact Mass369.13
IUPAC NameN-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1CCN(C)Cc1cc2n(n1)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C15H23N5O2S2/c1-12-15(23-11-16-12)4-5-18(2)9-13-8-14-10-19(24(3,21)22)6-7-20(14)17-13/h8,11H,4-7,9-10H2,1-3H3
InChIKeyQACQEUUXTLZJJW-UHFFFAOYSA-N
XLogP1.10
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 56914096) is N-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncsc1CCN(C)Cc1cc2n(n1)CCN(S(C)(=O)=O)C2.
What is the InChIKey of N-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is QACQEUUXTLZJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S2/c1-12-15(23-11-16-12)4-5-18(2)9-13-8-14-10-19(24(3,21)22)6-7-20(14)17-13/h8,11H,4-7,9-10H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 369.52 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 56914096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).