2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole

C16H17N3S — CID 17481056

IUPAC2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole
SMILESCC1c2cccn2CCN1Cc1nc2ccccc2s1
InChIInChI=1S/C16H17N3S/c1-12-14-6-4-8-18(14)9-10-19(12)11-16-17-13-5-2-3-7-15(13)20-16/h2-8,12H,9-11H2,1H3
InChIKeyHTZCYNABSBFKCN-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.67
Rot. Bonds2

About 2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole

2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole (PubChem CID 17481056) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole
PubChem CID17481056
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole
SMILESCC1c2cccn2CCN1Cc1nc2ccccc2s1
InChIInChI=1S/C16H17N3S/c1-12-14-6-4-8-18(14)9-10-19(12)11-16-17-13-5-2-3-7-15(13)20-16/h2-8,12H,9-11H2,1H3
InChIKeyHTZCYNABSBFKCN-UHFFFAOYSA-N
XLogP3.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole with MolForge

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Related Compounds

2-[(2-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 55104966
1-(1,3-benzothiazol-2-ylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 104631136
2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole
CID 163732735
1-(1,3-benzothiazol-2-ylmethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102784109
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 65449041
2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 104632221
1-[1-(1,3-benzothiazol-2-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758778
4-(1,3-benzothiazol-2-ylmethyl)thiomorpholine-3-carboxylic acid
CID 82908778
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 63249392
1-(1,3-benzothiazol-2-ylmethyl)pyrrolidine-2-carbonitrile
CID 104631037
2-[[2-(chloromethyl)piperidin-1-yl]methyl]-1,3-benzothiazole
CID 104631990
2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-benzothiazole
CID 66208368

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole?
The IUPAC name of 2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole (CID 17481056) is 2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole is CC1c2cccn2CCN1Cc1nc2ccccc2s1.
What is the InChIKey of 2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole?
The InChIKey is HTZCYNABSBFKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-12-14-6-4-8-18(14)9-10-19(12)11-16-17-13-5-2-3-7-15(13)20-16/h2-8,12H,9-11H2,1H3.
What are the key properties of 2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole?
2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole has a molecular weight of 283.40 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-benzothiazole is sourced from PubChem (CID 17481056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).