[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine

C11H10N4S — CID 66768307

IUPAC[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1[nH]ncc1-c1nc2ccccc2s1
InChIInChI=1S/C11H10N4S/c12-5-9-7(6-13-15-9)11-14-8-3-1-2-4-10(8)16-11/h1-4,6H,5,12H2,(H,13,15)
InChIKeyAZTHZLWIXGWUFW-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.15
Rot. Bonds2

About [4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine

[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine (PubChem CID 66768307) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine
PubChem CID66768307
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1[nH]ncc1-c1nc2ccccc2s1
InChIInChI=1S/C11H10N4S/c12-5-9-7(6-13-15-9)11-14-8-3-1-2-4-10(8)16-11/h1-4,6H,5,12H2,(H,13,15)
InChIKeyAZTHZLWIXGWUFW-UHFFFAOYSA-N
XLogP2.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Phenyl-5-(1H-pyrazol-3-YL)-1,3-thiazole
CID 2763788
4-Benzothiazol-2-YL-2H-pyrazol-3-ylamine
CID 16785010
4-methyl-2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole
CID 1480004
4-(1H-indazol-5-yl)-2-methylthiazole
CID 25167076
4-Benzothiazol-2-YL-5-(3-methylamino-propyl)-2H-pyrazol-3-ylamine
CID 66768141
2-(1H-Pyrazol-5-yl)-1,3-benzothiazole
CID 24208803
2-(1H-pyrazol-4-yl)-1,3-benzothiazole
CID 45077572
4-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridine
CID 1482789
US8754233, 4-Benzothiazol-2-yl-1H-pyrazole-3,5-diamine
CID 15651033
US8754233, 4-Benzothiazol-2-yl-5-ethyl-1H-pyrazol-3-ylamine
CID 28285639
US8754233, 4-Benzothiazol-2-yl-5-cyclopropyl-2H-pyrazol-3-ylamine
CID 28285652
US8754233, 4-Benzothiazol-2-yl-5-methyl-1H-pyrazol-3-ylamine
CID 28286160

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine (CID 66768307) is [4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine is NCc1[nH]ncc1-c1nc2ccccc2s1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is AZTHZLWIXGWUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c12-5-9-7(6-13-15-9)11-14-8-3-1-2-4-10(8)16-11/h1-4,6H,5,12H2,(H,13,15).
What are the key properties of [4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine?
[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 230.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 66768307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).