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

C18H21N7S2 — CID 143670531

IUPACN-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane
SMILESCC.Cc1cc(Nc2nc(SC3CC3)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C16H15N7S2.C2H6/c1-9-4-13(25-22-9)20-15-16-17-7-12(10-5-18-19-6-10)23(16)8-14(21-15)24-11-2-3-11;1-2/h4-8,11H,2-3H2,1H3,(H,18,19)(H,20,21);1-2H3
InChIKeyPGFYKDIDJLKTLA-UHFFFAOYSA-N
MW399.55 g/mol
LogP4.91
Rot. Bonds5

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

N-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane (PubChem CID 143670531) has the molecular formula C18H21N7S2 and a molecular weight of 399.55 g/mol. Its IUPAC name is N-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane.

Molecular Properties

Compound NameN-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane
PubChem CID143670531
Molecular FormulaC18H21N7S2
Molecular Weight399.55 g/mol
Exact Mass399.13
IUPAC NameN-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane
SMILESCC.Cc1cc(Nc2nc(SC3CC3)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C16H15N7S2.C2H6/c1-9-4-13(25-22-9)20-15-16-17-7-12(10-5-18-19-6-10)23(16)8-14(21-15)24-11-2-3-11;1-2/h4-8,11H,2-3H2,1H3,(H,18,19)(H,20,21);1-2H3
InChIKeyPGFYKDIDJLKTLA-UHFFFAOYSA-N
XLogP4.91
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.55
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane?
The IUPAC name of N-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane (CID 143670531) is N-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane.
What is the SMILES notation for N-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane?
The canonical SMILES for N-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane is CC.Cc1cc(Nc2nc(SC3CC3)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of N-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane?
The InChIKey is PGFYKDIDJLKTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7S2.C2H6/c1-9-4-13(25-22-9)20-15-16-17-7-12(10-5-18-19-6-10)23(16)8-14(21-15)24-11-2-3-11;1-2/h4-8,11H,2-3H2,1H3,(H,18,19)(H,20,21);1-2H3.
What are the key properties of N-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane?
N-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane has a molecular weight of 399.55 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyclopropylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;ethane is sourced from PubChem (CID 143670531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).