4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine

C13H13N3S — CID 938493

IUPAC4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine
SMILESCc1c(-c2csc(N)n2)c2ccccc2n1C
InChIInChI=1S/C13H13N3S/c1-8-12(10-7-17-13(14)15-10)9-5-3-4-6-11(9)16(8)2/h3-7H,1-2H3,(H2,14,15)
InChIKeySHMYJDZPJJBVQW-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.19
Rot. Bonds1

About 4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine

4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine (PubChem CID 938493) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine
PubChem CID938493
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine
SMILESCc1c(-c2csc(N)n2)c2ccccc2n1C
InChIInChI=1S/C13H13N3S/c1-8-12(10-7-17-13(14)15-10)9-5-3-4-6-11(9)16(8)2/h3-7H,1-2H3,(H2,14,15)
InChIKeySHMYJDZPJJBVQW-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine (CID 938493) is 4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine is Cc1c(-c2csc(N)n2)c2ccccc2n1C.
What is the InChIKey of 4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is SHMYJDZPJJBVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-8-12(10-7-17-13(14)15-10)9-5-3-4-6-11(9)16(8)2/h3-7H,1-2H3,(H2,14,15).
What are the key properties of 4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine?
4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 243.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 938493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).