1-(1,3-benzothiazol-2-yl)pyrazol-3-amine

C10H8N4S — CID 57073470

IUPAC1-(1,3-benzothiazol-2-yl)pyrazol-3-amine
SMILESNc1ccn(-c2nc3ccccc3s2)n1
InChIInChI=1S/C10H8N4S/c11-9-5-6-14(13-9)10-12-7-3-1-2-4-8(7)15-10/h1-6H,(H2,11,13)
InChIKeyMPMVRJSIKWJHHD-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.06
Rot. Bonds1

About 1-(1,3-benzothiazol-2-yl)pyrazol-3-amine

1-(1,3-benzothiazol-2-yl)pyrazol-3-amine (PubChem CID 57073470) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)pyrazol-3-amine
PubChem CID57073470
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name1-(1,3-benzothiazol-2-yl)pyrazol-3-amine
SMILESNc1ccn(-c2nc3ccccc3s2)n1
InChIInChI=1S/C10H8N4S/c11-9-5-6-14(13-9)10-12-7-3-1-2-4-8(7)15-10/h1-6H,(H2,11,13)
InChIKeyMPMVRJSIKWJHHD-UHFFFAOYSA-N
XLogP2.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-nitropyrazol-1-yl)-1,3-benzothiazole
CID 49429533
1-[6-((18F)fluoromethoxy)-1,3-benzothiazol-2-yl]pyrazol-3-amine
CID 56603013
1-(1,3-benzothiazol-2-yl)-1,2,4-triazole-3,5-diamine
CID 58976966
1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine
CID 56640748
CID 58036200
CID 58036200
[1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine
CID 70422837
2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65353442
2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 45496469
2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole
CID 15176220
2-(tetrazol-2-yl)-1,3-benzothiazole
CID 10130426
2-(1,3-benzothiazol-2-yl)-5-ethoxy-1,2,4-triazol-3-amine
CID 79872179
2-bromo-1,3-benzothiazole;hydrazine
CID 174709808

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)pyrazol-3-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)pyrazol-3-amine (CID 57073470) is 1-(1,3-benzothiazol-2-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)pyrazol-3-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)pyrazol-3-amine is Nc1ccn(-c2nc3ccccc3s2)n1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)pyrazol-3-amine?
The InChIKey is MPMVRJSIKWJHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c11-9-5-6-14(13-9)10-12-7-3-1-2-4-8(7)15-10/h1-6H,(H2,11,13).
What are the key properties of 1-(1,3-benzothiazol-2-yl)pyrazol-3-amine?
1-(1,3-benzothiazol-2-yl)pyrazol-3-amine has a molecular weight of 216.27 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)pyrazol-3-amine is sourced from PubChem (CID 57073470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).