4-(1,3-benzothiazol-2-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine

C15H10N4S2 — CID 44528476

IUPAC4-(1,3-benzothiazol-2-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine
SMILESc1ccc2sc(-c3csc(Nc4ccncc4)n3)nc2c1
InChIInChI=1S/C15H10N4S2/c1-2-4-13-11(3-1)18-14(21-13)12-9-20-15(19-12)17-10-5-7-16-8-6-10/h1-9H,(H,16,17,19)
InChIKeyYRAWGFMGIZRYGV-UHFFFAOYSA-N
MW310.41 g/mol
LogP4.56
Rot. Bonds3

About 4-(1,3-benzothiazol-2-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine

4-(1,3-benzothiazol-2-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 44528476) has the molecular formula C15H10N4S2 and a molecular weight of 310.41 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID44528476
Molecular FormulaC15H10N4S2
Molecular Weight310.41 g/mol
Exact Mass310.03
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine
SMILESc1ccc2sc(-c3csc(Nc4ccncc4)n3)nc2c1
InChIInChI=1S/C15H10N4S2/c1-2-4-13-11(3-1)18-14(21-13)12-9-20-15(19-12)17-10-5-7-16-8-6-10/h1-9H,(H,16,17,19)
InChIKeyYRAWGFMGIZRYGV-UHFFFAOYSA-N
XLogP4.56
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine (CID 44528476) is 4-(1,3-benzothiazol-2-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine is c1ccc2sc(-c3csc(Nc4ccncc4)n3)nc2c1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is YRAWGFMGIZRYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S2/c1-2-4-13-11(3-1)18-14(21-13)12-9-20-15(19-12)17-10-5-7-16-8-6-10/h1-9H,(H,16,17,19).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine?
4-(1,3-benzothiazol-2-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 310.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 44528476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).