N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide

C20H23N3O2S2 — CID 9173901

IUPACN-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
SMILESCCN(c1ccc(-c2csc(-c3ccc(N(C)C)cc3)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C20H23N3O2S2/c1-5-23(27(4,24)25)18-12-6-15(7-13-18)19-14-26-20(21-19)16-8-10-17(11-9-16)22(2)3/h6-14H,5H2,1-4H3
InChIKeyKGLGFTCULYAQRC-UHFFFAOYSA-N
MW401.56 g/mol
LogP4.33
Rot. Bonds6

About N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide

N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide (PubChem CID 9173901) has the molecular formula C20H23N3O2S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
PubChem CID9173901
Molecular FormulaC20H23N3O2S2
Molecular Weight401.56 g/mol
Exact Mass401.12
IUPAC NameN-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
SMILESCCN(c1ccc(-c2csc(-c3ccc(N(C)C)cc3)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C20H23N3O2S2/c1-5-23(27(4,24)25)18-12-6-15(7-13-18)19-14-26-20(21-19)16-8-10-17(11-9-16)22(2)3/h6-14H,5H2,1-4H3
InChIKeyKGLGFTCULYAQRC-UHFFFAOYSA-N
XLogP4.33
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide (CID 9173901) is N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide is CCN(c1ccc(-c2csc(-c3ccc(N(C)C)cc3)n2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide?
The InChIKey is KGLGFTCULYAQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S2/c1-5-23(27(4,24)25)18-12-6-15(7-13-18)19-14-26-20(21-19)16-8-10-17(11-9-16)22(2)3/h6-14H,5H2,1-4H3.
What are the key properties of N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide?
N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide has a molecular weight of 401.56 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 9173901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).