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

C14H13N7O2S2 — CID 56676636

IUPAC3-methyl-N-[6-methylsulfonyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(S(C)(=O)=O)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C14H13N7O2S2/c1-8-3-11(24-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)25(2,22)23/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyKKEKWBHUJBTFPD-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.03
Rot. Bonds4

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

3-methyl-N-[6-methylsulfonyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 56676636) has the molecular formula C14H13N7O2S2 and a molecular weight of 375.44 g/mol. Its IUPAC name is 3-methyl-N-[6-methylsulfonyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[6-methylsulfonyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID56676636
Molecular FormulaC14H13N7O2S2
Molecular Weight375.44 g/mol
Exact Mass375.06
IUPAC Name3-methyl-N-[6-methylsulfonyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(S(C)(=O)=O)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C14H13N7O2S2/c1-8-3-11(24-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)25(2,22)23/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyKKEKWBHUJBTFPD-UHFFFAOYSA-N
XLogP2.03
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-methylsulfonyl-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-methylsulfonyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 56676636) is 3-methyl-N-[6-methylsulfonyl-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-methylsulfonyl-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-methylsulfonyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1cc(Nc2nc(S(C)(=O)=O)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of 3-methyl-N-[6-methylsulfonyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is KKEKWBHUJBTFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O2S2/c1-8-3-11(24-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)25(2,22)23/h3-7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-N-[6-methylsulfonyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-methyl-N-[6-methylsulfonyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 375.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-methylsulfonyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 56676636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).