4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline

C14H16F2N2O2S2 — CID 133335803

IUPAC4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline
SMILESCCc1cnc(C(C)Nc2ccc(S(=O)(=O)C(F)F)cc2)s1
InChIInChI=1S/C14H16F2N2O2S2/c1-3-11-8-17-13(21-11)9(2)18-10-4-6-12(7-5-10)22(19,20)14(15)16/h4-9,14,18H,3H2,1-2H3
InChIKeyGNYJDOCBYPQAIH-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.87
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline

4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 133335803) has the molecular formula C14H16F2N2O2S2 and a molecular weight of 346.42 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline
PubChem CID133335803
Molecular FormulaC14H16F2N2O2S2
Molecular Weight346.42 g/mol
Exact Mass346.06
IUPAC Name4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline
SMILESCCc1cnc(C(C)Nc2ccc(S(=O)(=O)C(F)F)cc2)s1
InChIInChI=1S/C14H16F2N2O2S2/c1-3-11-8-17-13(21-11)9(2)18-10-4-6-12(7-5-10)22(19,20)14(15)16/h4-9,14,18H,3H2,1-2H3
InChIKeyGNYJDOCBYPQAIH-UHFFFAOYSA-N
XLogP3.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 107282266
4-(difluoromethylsulfonyl)-N-propan-2-ylaniline
CID 43455286
4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43683889
1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
CID 104613096
4-(difluoromethylsulfonyl)-N-heptan-4-ylaniline
CID 43683888
4-(difluoromethylsulfonyl)-N-[1-(1H-pyrazol-4-yl)ethyl]aniline
CID 103894690
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-iodopyrimidin-2-amine
CID 104844066
2-bromo-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 114888414
5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 115681173
2-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]acetonitrile
CID 102624625
5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 112697226
1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 97331125

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline (CID 133335803) is 4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline is CCc1cnc(C(C)Nc2ccc(S(=O)(=O)C(F)F)cc2)s1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is GNYJDOCBYPQAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2S2/c1-3-11-8-17-13(21-11)9(2)18-10-4-6-12(7-5-10)22(19,20)14(15)16/h4-9,14,18H,3H2,1-2H3.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline?
4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 346.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 133335803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).