1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine

C14H17N3O2S2 — CID 136561789

IUPAC1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine
SMILESCc1nc(C)c(S(=O)(=O)N2CC(Nc3ccccc3)C2)s1
InChIInChI=1S/C14H17N3O2S2/c1-10-14(20-11(2)15-10)21(18,19)17-8-13(9-17)16-12-6-4-3-5-7-12/h3-7,13,16H,8-9H2,1-2H3
InChIKeyYXKIGSAQYBIFRG-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.24
Rot. Bonds4

About 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine

1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine (PubChem CID 136561789) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine
PubChem CID136561789
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine
SMILESCc1nc(C)c(S(=O)(=O)N2CC(Nc3ccccc3)C2)s1
InChIInChI=1S/C14H17N3O2S2/c1-10-14(20-11(2)15-10)21(18,19)17-8-13(9-17)16-12-6-4-3-5-7-12/h3-7,13,16H,8-9H2,1-2H3
InChIKeyYXKIGSAQYBIFRG-UHFFFAOYSA-N
XLogP2.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine (CID 136561789) is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine is Cc1nc(C)c(S(=O)(=O)N2CC(Nc3ccccc3)C2)s1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine?
The InChIKey is YXKIGSAQYBIFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-10-14(20-11(2)15-10)21(18,19)17-8-13(9-17)16-12-6-4-3-5-7-12/h3-7,13,16H,8-9H2,1-2H3.
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine?
1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine has a molecular weight of 323.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-N-phenylazetidin-3-amine is sourced from PubChem (CID 136561789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).