N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine

C17H22N8S — CID 143465045

IUPACN-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine
SMILESC=C(c1cnn(C)c1)n1cc(CCN)nc(Nc2cc(C)ns2)/c1=N\C
InChIInChI=1S/C17H22N8S/c1-11-7-15(26-23-11)22-16-17(19-3)25(10-14(21-16)5-6-18)12(2)13-8-20-24(4)9-13/h7-10H,2,5-6,18H2,1,3-4H3,(H,21,22)/b19-17+
InChIKeyFLCVKSWQQSBPHF-HTXNQAPBSA-N
MW370.49 g/mol
LogP1.68
Rot. Bonds6

About N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine

N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 143465045) has the molecular formula C17H22N8S and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID143465045
Molecular FormulaC17H22N8S
Molecular Weight370.49 g/mol
Exact Mass370.17
IUPAC NameN-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine
SMILESC=C(c1cnn(C)c1)n1cc(CCN)nc(Nc2cc(C)ns2)/c1=N\C
InChIInChI=1S/C17H22N8S/c1-11-7-15(26-23-11)22-16-17(19-3)25(10-14(21-16)5-6-18)12(2)13-8-20-24(4)9-13/h7-10H,2,5-6,18H2,1,3-4H3,(H,21,22)/b19-17+
InChIKeyFLCVKSWQQSBPHF-HTXNQAPBSA-N
XLogP1.68
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[4-[[5-Methylsulfanyl-3-[(3-methyl-1,2-thiazol-5-yl)amino]-2-propyliminopyrazin-1-yl]methyl]pyrazol-1-yl] thiohypofluorite
CID 143460711
3-methyl-N-[3-(1-methylpyrazol-4-yl)-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 67582856
(E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-8-imine
CID 136595809
N-[3-methylidene-4-[(Z)-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyrazin-2-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 143460518
Ethane;[4-[[5-methylsulfanyl-3-[(3-methyl-1,2-thiazol-5-yl)amino]-2-propyliminopyrazin-1-yl]methyl]pyrazol-1-yl] thiohypofluorite
CID 143460710
N-methyl-2-[(1E)-6-(1-methylpyrazol-4-yl)-1-[(3-methyl-1,2-thiazol-5-yl)imino]-8,9-dihydro-2H-pyrazino[1,2-a]azepin-3-yl]ethanamine
CID 143460797
N-[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine
CID 143460867
(E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine
CID 143460948
N-[3-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a]pyrazin-4-ium-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 143460964
2-[(8E)-3-(1-methylpyrazol-4-yl)-8-(1,2-thiazol-5-ylimino)-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-6-yl]ethanamine
CID 143461060
(E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine
CID 143464839
(E)-6-chloro-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-3-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine
CID 143465099

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine (CID 143465045) is N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine is C=C(c1cnn(C)c1)n1cc(CCN)nc(Nc2cc(C)ns2)/c1=N\C.
What is the InChIKey of N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is FLCVKSWQQSBPHF-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H22N8S/c1-11-7-15(26-23-11)22-16-17(19-3)25(10-14(21-16)5-6-18)12(2)13-8-20-24(4)9-13/h7-10H,2,5-6,18H2,1,3-4H3,(H,21,22)/b19-17+.
What are the key properties of N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine?
N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 370.49 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 143465045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).