N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide

C17H20F3N5O3S — CID 175748168

IUPACN-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide
SMILESO=C(CNC1CCNCC1)NCC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C17H20F3N5O3S/c18-17(19,20)28-11-1-2-12-13(7-11)29-16(24-12)25-15(27)9-23-14(26)8-22-10-3-5-21-6-4-10/h1-2,7,10,21-22H,3-6,8-9H2,(H,23,26)(H,24,25,27)
InChIKeyCRLONVZIKNRWKH-UHFFFAOYSA-N
MW431.44 g/mol
LogP1.59
Rot. Bonds7

About N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide

N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide (PubChem CID 175748168) has the molecular formula C17H20F3N5O3S and a molecular weight of 431.44 g/mol. Its IUPAC name is N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide
PubChem CID175748168
Molecular FormulaC17H20F3N5O3S
Molecular Weight431.44 g/mol
Exact Mass431.12
IUPAC NameN-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide
SMILESO=C(CNC1CCNCC1)NCC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C17H20F3N5O3S/c18-17(19,20)28-11-1-2-12-13(7-11)29-16(24-12)25-15(27)9-23-14(26)8-22-10-3-5-21-6-4-10/h1-2,7,10,21-22H,3-6,8-9H2,(H,23,26)(H,24,25,27)
InChIKeyCRLONVZIKNRWKH-UHFFFAOYSA-N
XLogP1.59
TPSA104.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide with MolForge

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Related Compounds

2-[[2-(methanesulfonamido)acetyl]amino]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 122656861
2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide
CID 42958187
1-amino-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclobutane-1-carboxamide
CID 122624961
2-pyrrolidin-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 119696765
2-(ethylamino)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 122624925
2-amino-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]propanamide
CID 122625103
2-(methylamino)-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]propanamide
CID 122624882
3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride
CID 119275185
4-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide;hydrochloride
CID 119275202
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751
4-pyrrolidin-1-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide
CID 122656794
[4-oxo-4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]butyl] carbamate
CID 122625133

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide?
The IUPAC name of N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide (CID 175748168) is N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide.
What is the SMILES notation for N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide?
The canonical SMILES for N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide is O=C(CNC1CCNCC1)NCC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1.
What is the InChIKey of N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide?
The InChIKey is CRLONVZIKNRWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O3S/c18-17(19,20)28-11-1-2-12-13(7-11)29-16(24-12)25-15(27)9-23-14(26)8-22-10-3-5-21-6-4-10/h1-2,7,10,21-22H,3-6,8-9H2,(H,23,26)(H,24,25,27).
What are the key properties of N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide?
N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide has a molecular weight of 431.44 g/mol, XLogP of 1.59, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(piperidin-4-ylamino)acetamide is sourced from PubChem (CID 175748168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).