N-(azetidin-3-yl)-5-(1-benzothiophen-3-yl)-N-methylpyrazin-2-amine

C16H16N4S — CID 167948938

IUPACN-(azetidin-3-yl)-5-(1-benzothiophen-3-yl)-N-methylpyrazin-2-amine
SMILESCN(c1cnc(-c2csc3ccccc23)cn1)C1CNC1
InChIInChI=1S/C16H16N4S/c1-20(11-6-17-7-11)16-9-18-14(8-19-16)13-10-21-15-5-3-2-4-12(13)15/h2-5,8-11,17H,6-7H2,1H3
InChIKeyVBZMHFSVACMHIQ-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.77
Rot. Bonds3

About N-(azetidin-3-yl)-5-(1-benzothiophen-3-yl)-N-methylpyrazin-2-amine

N-(azetidin-3-yl)-5-(1-benzothiophen-3-yl)-N-methylpyrazin-2-amine (PubChem CID 167948938) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-(1-benzothiophen-3-yl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-(1-benzothiophen-3-yl)-N-methylpyrazin-2-amine
PubChem CID167948938
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC NameN-(azetidin-3-yl)-5-(1-benzothiophen-3-yl)-N-methylpyrazin-2-amine
SMILESCN(c1cnc(-c2csc3ccccc23)cn1)C1CNC1
InChIInChI=1S/C16H16N4S/c1-20(11-6-17-7-11)16-9-18-14(8-19-16)13-10-21-15-5-3-2-4-12(13)15/h2-5,8-11,17H,6-7H2,1H3
InChIKeyVBZMHFSVACMHIQ-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[azetidin-3-yl(methyl)amino]pyrazine-2-carbonitrile
CID 66181833
N-[[6-(1-benzothiophen-3-yl)-3-pyridinyl]methyl]prop-2-enamide
CID 172887459
3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole
CID 142092132
4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine
CID 116897334
5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine
CID 116827364
5-(1-benzothiophen-3-yl)-2-bromo-1H-imidazole
CID 116884338
N-methyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine;hydrochloride
CID 71641425
N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,2-benzothiazol-3-amine;hydrochloride
CID 71641030
5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole
CID 170201826
N-(azetidin-3-yl)-N,2-dimethylpyrimidin-4-amine
CID 66182049
N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
CID 119531656
N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71641013

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-(1-benzothiophen-3-yl)-N-methylpyrazin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-5-(1-benzothiophen-3-yl)-N-methylpyrazin-2-amine (CID 167948938) is N-(azetidin-3-yl)-5-(1-benzothiophen-3-yl)-N-methylpyrazin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-5-(1-benzothiophen-3-yl)-N-methylpyrazin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-5-(1-benzothiophen-3-yl)-N-methylpyrazin-2-amine is CN(c1cnc(-c2csc3ccccc23)cn1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-5-(1-benzothiophen-3-yl)-N-methylpyrazin-2-amine?
The InChIKey is VBZMHFSVACMHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-20(11-6-17-7-11)16-9-18-14(8-19-16)13-10-21-15-5-3-2-4-12(13)15/h2-5,8-11,17H,6-7H2,1H3.
What are the key properties of N-(azetidin-3-yl)-5-(1-benzothiophen-3-yl)-N-methylpyrazin-2-amine?
N-(azetidin-3-yl)-5-(1-benzothiophen-3-yl)-N-methylpyrazin-2-amine has a molecular weight of 296.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-(1-benzothiophen-3-yl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 167948938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).