N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

C19H18N8S2 — CID 58873874

IUPACN-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(-c3sccc3CN)cn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C19H18N8S2/c1-11-5-16(29-25-11)24-18-19-21-8-15(13-7-22-26(2)9-13)27(19)10-14(23-18)17-12(6-20)3-4-28-17/h3-5,7-10H,6,20H2,1-2H3,(H,23,24)
InChIKeySMVHGONRSRXNEA-UHFFFAOYSA-N
MW422.54 g/mol
LogP3.83
Rot. Bonds5

About N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 58873874) has the molecular formula C19H18N8S2 and a molecular weight of 422.54 g/mol. Its IUPAC name is N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID58873874
Molecular FormulaC19H18N8S2
Molecular Weight422.54 g/mol
Exact Mass422.11
IUPAC NameN-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(-c3sccc3CN)cn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C19H18N8S2/c1-11-5-16(29-25-11)24-18-19-21-8-15(13-7-22-26(2)9-13)27(19)10-14(23-18)17-12(6-20)3-4-28-17/h3-5,7-10H,6,20H2,1-2H3,(H,23,24)
InChIKeySMVHGONRSRXNEA-UHFFFAOYSA-N
XLogP3.83
TPSA98.95 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 58873874) is N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2nc(-c3sccc3CN)cn3c(-c4cnn(C)c4)cnc23)sn1.
What is the InChIKey of N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is SMVHGONRSRXNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8S2/c1-11-5-16(29-25-11)24-18-19-21-8-15(13-7-22-26(2)9-13)27(19)10-14(23-18)17-12(6-20)3-4-28-17/h3-5,7-10H,6,20H2,1-2H3,(H,23,24).
What are the key properties of N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 422.54 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(aminomethyl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 58873874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).