N-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane

C21H28N6S — CID 168878805

IUPACN-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane
SMILESC=C1CN(c2cncs2)C(=C)/C1=C/N(C)c1cnc(N2CCCC2)cn1.CC
InChIInChI=1S/C19H22N6S.C2H6/c1-14-11-25(19-10-20-13-26-19)15(2)16(14)12-23(3)17-8-22-18(9-21-17)24-6-4-5-7-24;1-2/h8-10,12-13H,1-2,4-7,11H2,3H3;1-2H3/b16-12+;
InChIKeyCKPICKXZMLJUCP-CLNHMMGSSA-N
MW396.56 g/mol
LogP4.47
Rot. Bonds4

About N-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane

N-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane (PubChem CID 168878805) has the molecular formula C21H28N6S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane.

Molecular Properties

Compound NameN-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane
PubChem CID168878805
Molecular FormulaC21H28N6S
Molecular Weight396.56 g/mol
Exact Mass396.21
IUPAC NameN-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane
SMILESC=C1CN(c2cncs2)C(=C)/C1=C/N(C)c1cnc(N2CCCC2)cn1.CC
InChIInChI=1S/C19H22N6S.C2H6/c1-14-11-25(19-10-20-13-26-19)15(2)16(14)12-23(3)17-8-22-18(9-21-17)24-6-4-5-7-24;1-2/h8-10,12-13H,1-2,4-7,11H2,3H3;1-2H3/b16-12+;
InChIKeyCKPICKXZMLJUCP-CLNHMMGSSA-N
XLogP4.47
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane with MolForge

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Related Compounds

5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole
CID 168879068
ethane;5-piperidin-1-ylpyrazin-2-amine
CID 143786995
2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879017
2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168878906
ethane;2-methyl-5-(4-methylpiperidin-1-yl)pyrazine
CID 144954602
2-[5-(4-methylazocan-1-yl)pyrazin-2-yl]-4-methylidene-5-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazole
CID 168878807
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-2-amine
CID 107378812
6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine
CID 112640956
5-piperazin-1-yl-1,3-thiazole
CID 96739347
5-iodo-2-piperidin-1-ylpyridine
CID 44721358
ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole
CID 163230037
5-[4-[(E)-4-aminobut-3-enyl]piperazin-1-yl]-N,N-dimethylpyrazin-2-amine
CID 166710982

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane?
The IUPAC name of N-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane (CID 168878805) is N-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane.
What is the SMILES notation for N-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane?
The canonical SMILES for N-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane is C=C1CN(c2cncs2)C(=C)/C1=C/N(C)c1cnc(N2CCCC2)cn1.CC.
What is the InChIKey of N-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane?
The InChIKey is CKPICKXZMLJUCP-CLNHMMGSSA-N. The full InChI is InChI=1S/C19H22N6S.C2H6/c1-14-11-25(19-10-20-13-26-19)15(2)16(14)12-23(3)17-8-22-18(9-21-17)24-6-4-5-7-24;1-2/h8-10,12-13H,1-2,4-7,11H2,3H3;1-2H3/b16-12+;.
What are the key properties of N-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane?
N-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane has a molecular weight of 396.56 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane is sourced from PubChem (CID 168878805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).