2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C13H15N3S — CID 81311419

IUPAC2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCc1ccc(-c2nc3c(s2)CCCC3N)nc1
InChIInChI=1S/C13H15N3S/c1-8-5-6-10(15-7-8)13-16-12-9(14)3-2-4-11(12)17-13/h5-7,9H,2-4,14H2,1H3
InChIKeyWPWVUQIBBIPBPB-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.85
Rot. Bonds1

About 2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 81311419) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID81311419
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCc1ccc(-c2nc3c(s2)CCCC3N)nc1
InChIInChI=1S/C13H15N3S/c1-8-5-6-10(15-7-8)13-16-12-9(14)3-2-4-11(12)17-13/h5-7,9H,2-4,14H2,1H3
InChIKeyWPWVUQIBBIPBPB-UHFFFAOYSA-N
XLogP2.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 81311419) is 2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is Cc1ccc(-c2nc3c(s2)CCCC3N)nc1.
What is the InChIKey of 2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is WPWVUQIBBIPBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-8-5-6-10(15-7-8)13-16-12-9(14)3-2-4-11(12)17-13/h5-7,9H,2-4,14H2,1H3.
What are the key properties of 2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 245.35 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 81311419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).