N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide

C17H9F6N5OS — CID 169107325

IUPACN-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide
SMILESN#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C17H9F6N5OS/c18-16(19,20)9-5-12(17(21,22)23)27-14(8(9)6-24)25-7-13(29)28-15-26-10-3-1-2-4-11(10)30-15/h1-5H,7H2,(H,25,27)(H,26,28,29)
InChIKeyPNKMSYVRBNARIF-UHFFFAOYSA-N
MW445.35 g/mol
LogP4.65
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide

N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide (PubChem CID 169107325) has the molecular formula C17H9F6N5OS and a molecular weight of 445.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide
PubChem CID169107325
Molecular FormulaC17H9F6N5OS
Molecular Weight445.35 g/mol
Exact Mass445.04
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide
SMILESN#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C17H9F6N5OS/c18-16(19,20)9-5-12(17(21,22)23)27-14(8(9)6-24)25-7-13(29)28-15-26-10-3-1-2-4-11(10)30-15/h1-5H,7H2,(H,25,27)(H,26,28,29)
InChIKeyPNKMSYVRBNARIF-UHFFFAOYSA-N
XLogP4.65
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide with MolForge

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 43811388
N-(1,3-benzothiazol-2-yl)-N-methylformamide;2-(ethylamino)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 169107300
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide
CID 54691677
N-(1,3-benzothiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 8882895
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
CID 790147
N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetamide
CID 23861138
N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
CID 79198900
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide (CID 169107325) is N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide is N#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide?
The InChIKey is PNKMSYVRBNARIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6N5OS/c18-16(19,20)9-5-12(17(21,22)23)27-14(8(9)6-24)25-7-13(29)28-15-26-10-3-1-2-4-11(10)30-15/h1-5H,7H2,(H,25,27)(H,26,28,29).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide has a molecular weight of 445.35 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide is sourced from PubChem (CID 169107325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).