4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine

C18H15N3O2S2 — CID 155532983

IUPAC4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C18H15N3O2S2/c1-12-17(20-18(19)24-12)15-11-21(16-10-6-5-9-14(15)16)25(22,23)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20)
InChIKeyKLVPAOMLKHDXNT-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.89
Rot. Bonds3

About 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine

4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 155532983) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine
PubChem CID155532983
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC Name4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C18H15N3O2S2/c1-12-17(20-18(19)24-12)15-11-21(16-10-6-5-9-14(15)16)25(22,23)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20)
InChIKeyKLVPAOMLKHDXNT-UHFFFAOYSA-N
XLogP3.89
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine (CID 155532983) is 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine is Cc1sc(N)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is KLVPAOMLKHDXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c1-12-17(20-18(19)24-12)15-11-21(16-10-6-5-9-14(15)16)25(22,23)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20).
What are the key properties of 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine?
4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 369.47 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)indol-3-yl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 155532983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).