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

C19H14ClN7S2 — CID 25094280

IUPACN-[6-(4-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Sc3ccc(Cl)cc3)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C19H14ClN7S2/c1-11-6-16(29-26-11)24-18-19-21-9-15(12-7-22-23-8-12)27(19)10-17(25-18)28-14-4-2-13(20)3-5-14/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyOMUBQDBIORTENA-UHFFFAOYSA-N
MW439.96 g/mol
LogP5.43
Rot. Bonds5

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

N-[6-(4-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 25094280) has the molecular formula C19H14ClN7S2 and a molecular weight of 439.96 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID25094280
Molecular FormulaC19H14ClN7S2
Molecular Weight439.96 g/mol
Exact Mass439.04
IUPAC NameN-[6-(4-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Sc3ccc(Cl)cc3)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C19H14ClN7S2/c1-11-6-16(29-26-11)24-18-19-21-9-15(12-7-22-23-8-12)27(19)10-17(25-18)28-14-4-2-13(20)3-5-14/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyOMUBQDBIORTENA-UHFFFAOYSA-N
XLogP5.43
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.96
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[6-(4-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 25094280) is N-[6-(4-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-(4-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-(4-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2nc(Sc3ccc(Cl)cc3)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of N-[6-(4-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is OMUBQDBIORTENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN7S2/c1-11-6-16(29-26-11)24-18-19-21-9-15(12-7-22-23-8-12)27(19)10-17(25-18)28-14-4-2-13(20)3-5-14/h2-10H,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[6-(4-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
N-[6-(4-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 439.96 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 25094280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).