N-[3-(1H-indazol-6-yl)pyrrolo[1,2-a]pyrazin-1-yl]-1,3-benzothiazol-5-amine

C21H14N6S — CID 70881672

IUPACN-[3-(1H-indazol-6-yl)pyrrolo[1,2-a]pyrazin-1-yl]-1,3-benzothiazol-5-amine
SMILESc1cc2c(Nc3ccc4scnc4c3)nc(-c3ccc4cn[nH]c4c3)cn2c1
InChIInChI=1S/C21H14N6S/c1-2-19-21(24-15-5-6-20-17(9-15)22-12-28-20)25-18(11-27(19)7-1)13-3-4-14-10-23-26-16(14)8-13/h1-12H,(H,23,26)(H,24,25)
InChIKeyBSHDECGNHQBAMY-UHFFFAOYSA-N
MW382.45 g/mol
LogP5.23
Rot. Bonds3

About N-[3-(1H-indazol-6-yl)pyrrolo[1,2-a]pyrazin-1-yl]-1,3-benzothiazol-5-amine

N-[3-(1H-indazol-6-yl)pyrrolo[1,2-a]pyrazin-1-yl]-1,3-benzothiazol-5-amine (PubChem CID 70881672) has the molecular formula C21H14N6S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[3-(1H-indazol-6-yl)pyrrolo[1,2-a]pyrazin-1-yl]-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[3-(1H-indazol-6-yl)pyrrolo[1,2-a]pyrazin-1-yl]-1,3-benzothiazol-5-amine
PubChem CID70881672
Molecular FormulaC21H14N6S
Molecular Weight382.45 g/mol
Exact Mass382.10
IUPAC NameN-[3-(1H-indazol-6-yl)pyrrolo[1,2-a]pyrazin-1-yl]-1,3-benzothiazol-5-amine
SMILESc1cc2c(Nc3ccc4scnc4c3)nc(-c3ccc4cn[nH]c4c3)cn2c1
InChIInChI=1S/C21H14N6S/c1-2-19-21(24-15-5-6-20-17(9-15)22-12-28-20)25-18(11-27(19)7-1)13-3-4-14-10-23-26-16(14)8-13/h1-12H,(H,23,26)(H,24,25)
InChIKeyBSHDECGNHQBAMY-UHFFFAOYSA-N
XLogP5.23
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.45
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1,3-benzothiazol-5-yl)-2-N-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 25196116
6-(1H-indazol-6-yl)-N-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 141271380
N-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine
CID 46239666
6-(1H-indazol-6-yl)-N-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473155
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-4-ol
CID 59473526
N-(6-ethoxy-3-pyridinyl)-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 154335633
[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]methanol
CID 59473100
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol
CID 59473592
3-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenoxy]propan-1-ol
CID 59473157
6-(1H-indazol-6-yl)-N-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 59473339
2-[1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperidin-4-yl]ethanol
CID 59473092
6-(3-aminophenyl)-N-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 57447602

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indazol-6-yl)pyrrolo[1,2-a]pyrazin-1-yl]-1,3-benzothiazol-5-amine?
The IUPAC name of N-[3-(1H-indazol-6-yl)pyrrolo[1,2-a]pyrazin-1-yl]-1,3-benzothiazol-5-amine (CID 70881672) is N-[3-(1H-indazol-6-yl)pyrrolo[1,2-a]pyrazin-1-yl]-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-[3-(1H-indazol-6-yl)pyrrolo[1,2-a]pyrazin-1-yl]-1,3-benzothiazol-5-amine?
The canonical SMILES for N-[3-(1H-indazol-6-yl)pyrrolo[1,2-a]pyrazin-1-yl]-1,3-benzothiazol-5-amine is c1cc2c(Nc3ccc4scnc4c3)nc(-c3ccc4cn[nH]c4c3)cn2c1.
What is the InChIKey of N-[3-(1H-indazol-6-yl)pyrrolo[1,2-a]pyrazin-1-yl]-1,3-benzothiazol-5-amine?
The InChIKey is BSHDECGNHQBAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N6S/c1-2-19-21(24-15-5-6-20-17(9-15)22-12-28-20)25-18(11-27(19)7-1)13-3-4-14-10-23-26-16(14)8-13/h1-12H,(H,23,26)(H,24,25).
What are the key properties of N-[3-(1H-indazol-6-yl)pyrrolo[1,2-a]pyrazin-1-yl]-1,3-benzothiazol-5-amine?
N-[3-(1H-indazol-6-yl)pyrrolo[1,2-a]pyrazin-1-yl]-1,3-benzothiazol-5-amine has a molecular weight of 382.45 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indazol-6-yl)pyrrolo[1,2-a]pyrazin-1-yl]-1,3-benzothiazol-5-amine is sourced from PubChem (CID 70881672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).