5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazol-2-amine

C13H13N3S2 — CID 114128323

IUPAC5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(NCc3ncc(C)s3)nc2c1
InChIInChI=1S/C13H13N3S2/c1-8-3-4-11-10(5-8)16-13(18-11)15-7-12-14-6-9(2)17-12/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyPWDPFYHIMGOKIU-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.98
Rot. Bonds3

About 5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazol-2-amine

5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 114128323) has the molecular formula C13H13N3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID114128323
Molecular FormulaC13H13N3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC Name5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(NCc3ncc(C)s3)nc2c1
InChIInChI=1S/C13H13N3S2/c1-8-3-4-11-10(5-8)16-13(18-11)15-7-12-14-6-9(2)17-12/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyPWDPFYHIMGOKIU-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazol-2-amine (CID 114128323) is 5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazol-2-amine is Cc1ccc2sc(NCc3ncc(C)s3)nc2c1.
What is the InChIKey of 5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is PWDPFYHIMGOKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S2/c1-8-3-4-11-10(5-8)16-13(18-11)15-7-12-14-6-9(2)17-12/h3-6H,7H2,1-2H3,(H,15,16).
What are the key properties of 5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 275.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114128323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).