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

C14H13N7S2 — CID 25094210

IUPAC3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCSc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1
InChIInChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFTFDOZLQPLTYBX-UHFFFAOYSA-N
MW343.44 g/mol
LogP3.35
Rot. Bonds4

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

3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 25094210) has the molecular formula C14H13N7S2 and a molecular weight of 343.44 g/mol. Its IUPAC name is 3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID25094210
Molecular FormulaC14H13N7S2
Molecular Weight343.44 g/mol
Exact Mass343.07
IUPAC Name3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCSc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1
InChIInChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFTFDOZLQPLTYBX-UHFFFAOYSA-N
XLogP3.35
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-methylsulfanyl-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-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 25094210) is 3-methyl-N-[6-methylsulfanyl-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-methylsulfanyl-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-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is CSc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1.
What is the InChIKey of 3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is FTFDOZLQPLTYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7S2/c1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h3-7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 343.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 25094210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).