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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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).