1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine

C17H14N4S — CID 756028

IUPAC1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine
SMILESCc1nn(-c2nc3ccccc3s2)c(N)c1-c1ccccc1
InChIInChI=1S/C17H14N4S/c1-11-15(12-7-3-2-4-8-12)16(18)21(20-11)17-19-13-9-5-6-10-14(13)22-17/h2-10H,18H2,1H3
InChIKeyGSMUXMUMERCXHJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.04
Rot. Bonds2

About 1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine

1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine (PubChem CID 756028) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine
PubChem CID756028
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine
SMILESCc1nn(-c2nc3ccccc3s2)c(N)c1-c1ccccc1
InChIInChI=1S/C17H14N4S/c1-11-15(12-7-3-2-4-8-12)16(18)21(20-11)17-19-13-9-5-6-10-14(13)22-17/h2-10H,18H2,1H3
InChIKeyGSMUXMUMERCXHJ-UHFFFAOYSA-N
XLogP4.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine (CID 756028) is 1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine is Cc1nn(-c2nc3ccccc3s2)c(N)c1-c1ccccc1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine?
The InChIKey is GSMUXMUMERCXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-11-15(12-7-3-2-4-8-12)16(18)21(20-11)17-19-13-9-5-6-10-14(13)22-17/h2-10H,18H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine?
1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenylpyrazol-5-amine has a molecular weight of 306.39 g/mol, XLogP of 4.04, 2 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)-3-methyl-4-phenylpyrazol-5-amine is sourced from PubChem (CID 756028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).