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

C14H13N7S — CID 52942070

IUPAC3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C14H13N7S/c1-8-3-12(22-20-8)19-13-14-15-6-11(10-4-16-17-5-10)21(14)7-9(2)18-13/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeySBNVERXJWAXIID-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.94
Rot. Bonds3

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

3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 52942070) has the molecular formula C14H13N7S and a molecular weight of 311.37 g/mol. Its IUPAC name is 3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID52942070
Molecular FormulaC14H13N7S
Molecular Weight311.37 g/mol
Exact Mass311.10
IUPAC Name3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C14H13N7S/c1-8-3-12(22-20-8)19-13-14-15-6-11(10-4-16-17-5-10)21(14)7-9(2)18-13/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeySBNVERXJWAXIID-UHFFFAOYSA-N
XLogP2.94
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 52942070) is 3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of 3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is SBNVERXJWAXIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7S/c1-8-3-12(22-20-8)19-13-14-15-6-11(10-4-16-17-5-10)21(14)7-9(2)18-13/h3-7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 311.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 52942070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).