6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine

C20H21N5OS — CID 87945600

IUPAC6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine
SMILESCc1[nH]ncc1-c1ccc2nc(Nc3cc(COC(C)C)ccn3)sc2c1
InChIInChI=1S/C20H21N5OS/c1-12(2)26-11-14-6-7-21-19(8-14)24-20-23-17-5-4-15(9-18(17)27-20)16-10-22-25-13(16)3/h4-10,12H,11H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyYHMIGTAUUIDOED-UHFFFAOYSA-N
MW379.49 g/mol
LogP5.06
Rot. Bonds6

About 6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine

6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine (PubChem CID 87945600) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine
PubChem CID87945600
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine
SMILESCc1[nH]ncc1-c1ccc2nc(Nc3cc(COC(C)C)ccn3)sc2c1
InChIInChI=1S/C20H21N5OS/c1-12(2)26-11-14-6-7-21-19(8-14)24-20-23-17-5-4-15(9-18(17)27-20)16-10-22-25-13(16)3/h4-10,12H,11H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyYHMIGTAUUIDOED-UHFFFAOYSA-N
XLogP5.06
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.49
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine (CID 87945600) is 6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine is Cc1[nH]ncc1-c1ccc2nc(Nc3cc(COC(C)C)ccn3)sc2c1.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine?
The InChIKey is YHMIGTAUUIDOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-12(2)26-11-14-6-7-21-19(8-14)24-20-23-17-5-4-15(9-18(17)27-20)16-10-22-25-13(16)3/h4-10,12H,11H2,1-3H3,(H,22,25)(H,21,23,24).
What are the key properties of 6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine?
6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine has a molecular weight of 379.49 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1H-pyrazol-4-yl)-N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 87945600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).