N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide

C14H13F3N4O2S2 — CID 177333253

IUPACN-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESNC(=O)CSc1nc2ccc(NC(=O)N3CC(C(F)(F)F)C3)cc2s1
InChIInChI=1S/C14H13F3N4O2S2/c15-14(16,17)7-4-21(5-7)12(23)19-8-1-2-9-10(3-8)25-13(20-9)24-6-11(18)22/h1-3,7H,4-6H2,(H2,18,22)(H,19,23)
InChIKeyBZSUCCKPBRMJTE-UHFFFAOYSA-N
MW390.41 g/mol
LogP2.90
Rot. Bonds4

About N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide

N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide (PubChem CID 177333253) has the molecular formula C14H13F3N4O2S2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide
PubChem CID177333253
Molecular FormulaC14H13F3N4O2S2
Molecular Weight390.41 g/mol
Exact Mass390.04
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESNC(=O)CSc1nc2ccc(NC(=O)N3CC(C(F)(F)F)C3)cc2s1
InChIInChI=1S/C14H13F3N4O2S2/c15-14(16,17)7-4-21(5-7)12(23)19-8-1-2-9-10(3-8)25-13(20-9)24-6-11(18)22/h1-3,7H,4-6H2,(H2,18,22)(H,19,23)
InChIKeyBZSUCCKPBRMJTE-UHFFFAOYSA-N
XLogP2.90
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 71882352
2-[[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoate
CID 7430883
N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 46264270
2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]acetic acid
CID 653086
2-[2-[[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 23822602
N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]adamantane-1-carboxamide
CID 46264103
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]acetamide
CID 124530465
ethyl 2-[[6-(2,2-dimethylpropanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetate
CID 23613269
N-phenyl-2-[[6-[[2-(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide
CID 46268656
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]acetamide
CID 3475710
N-[2-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-hydroxyoxolane-2-carboxamide
CID 177333174
(3aS,6aR)-2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122074031

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide (CID 177333253) is N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide is NC(=O)CSc1nc2ccc(NC(=O)N3CC(C(F)(F)F)C3)cc2s1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide?
The InChIKey is BZSUCCKPBRMJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2S2/c15-14(16,17)7-4-21(5-7)12(23)19-8-1-2-9-10(3-8)25-13(20-9)24-6-11(18)22/h1-3,7H,4-6H2,(H2,18,22)(H,19,23).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide?
N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(trifluoromethyl)azetidine-1-carboxamide is sourced from PubChem (CID 177333253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).