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

C19H22N8S — CID 143460867

IUPACN-[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
SMILES[H]/N=c1\c(Nc2cc(C)ns2)nc(C2=CCNCC2)cn1C(=C)c1cnn(C)c1
InChIInChI=1S/C19H22N8S/c1-12-8-17(28-25-12)24-19-18(20)27(13(2)15-9-22-26(3)10-15)11-16(23-19)14-4-6-21-7-5-14/h4,8-11,20-21H,2,5-7H2,1,3H3,(H,23,24)/b20-18+
InChIKeyKUVVSFCRXVQRCS-CZIZESTLSA-N
MW394.51 g/mol
LogP2.50
Rot. Bonds5

About 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

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 (PubChem CID 143460867) has the molecular formula C19H22N8S and a molecular weight of 394.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID143460867
Molecular FormulaC19H22N8S
Molecular Weight394.51 g/mol
Exact Mass394.17
IUPAC NameN-[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
SMILES[H]/N=c1\c(Nc2cc(C)ns2)nc(C2=CCNCC2)cn1C(=C)c1cnn(C)c1
InChIInChI=1S/C19H22N8S/c1-12-8-17(28-25-12)24-19-18(20)27(13(2)15-9-22-26(3)10-15)11-16(23-19)14-4-6-21-7-5-14/h4,8-11,20-21H,2,5-7H2,1,3H3,(H,23,24)/b20-18+
InChIKeyKUVVSFCRXVQRCS-CZIZESTLSA-N
XLogP2.50
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [H]/N=c1\c(Nc2cc(C)ns2)nc(C2=CCNCC2)cn1C(=C)c1cnn(C)c1.
What is the InChIKey of 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?
The InChIKey is KUVVSFCRXVQRCS-CZIZESTLSA-N. The full InChI is InChI=1S/C19H22N8S/c1-12-8-17(28-25-12)24-19-18(20)27(13(2)15-9-22-26(3)10-15)11-16(23-19)14-4-6-21-7-5-14/h4,8-11,20-21H,2,5-7H2,1,3H3,(H,23,24)/b20-18+.
What are the key properties of 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?
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 has a molecular weight of 394.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143460867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).