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

C17H19N7S2 — CID 25094245

IUPACN-[6-tert-butylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(SC(C)(C)C)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C17H19N7S2/c1-10-5-13(26-23-10)21-15-16-18-8-12(11-6-19-20-7-11)24(16)9-14(22-15)25-17(2,3)4/h5-9H,1-4H3,(H,19,20)(H,21,22)
InChIKeyYUPOZANDWNEEJQ-UHFFFAOYSA-N
MW385.52 g/mol
LogP4.52
Rot. Bonds4

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

N-[6-tert-butylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 25094245) has the molecular formula C17H19N7S2 and a molecular weight of 385.52 g/mol. Its IUPAC name is N-[6-tert-butylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-tert-butylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID25094245
Molecular FormulaC17H19N7S2
Molecular Weight385.52 g/mol
Exact Mass385.11
IUPAC NameN-[6-tert-butylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(SC(C)(C)C)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C17H19N7S2/c1-10-5-13(26-23-10)21-15-16-18-8-12(11-6-19-20-7-11)24(16)9-14(22-15)25-17(2,3)4/h5-9H,1-4H3,(H,19,20)(H,21,22)
InChIKeyYUPOZANDWNEEJQ-UHFFFAOYSA-N
XLogP4.52
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-tert-butylsulfanyl-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-tert-butylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 25094245) is N-[6-tert-butylsulfanyl-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-tert-butylsulfanyl-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-tert-butylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2nc(SC(C)(C)C)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of N-[6-tert-butylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is YUPOZANDWNEEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7S2/c1-10-5-13(26-23-10)21-15-16-18-8-12(11-6-19-20-7-11)24(16)9-14(22-15)25-17(2,3)4/h5-9H,1-4H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-tert-butylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
N-[6-tert-butylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 385.52 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-tert-butylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 25094245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).