N-[2-[1,3-thiazole-2-carbonyl(2,2,2-trifluoroethyl)amino]ethyl]-1,3-thiazole-2-carboxamide

C12H11F3N4O2S2 — CID 167991195

IUPACN-[2-[1,3-thiazole-2-carbonyl(2,2,2-trifluoroethyl)amino]ethyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCCN(CC(F)(F)F)C(=O)c1nccs1)c1nccs1
InChIInChI=1S/C12H11F3N4O2S2/c13-12(14,15)7-19(11(21)10-18-3-6-23-10)4-1-16-8(20)9-17-2-5-22-9/h2-3,5-6H,1,4,7H2,(H,16,20)
InChIKeyDCAVQNZMTCSWBC-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.03
Rot. Bonds6

About N-[2-[1,3-thiazole-2-carbonyl(2,2,2-trifluoroethyl)amino]ethyl]-1,3-thiazole-2-carboxamide

N-[2-[1,3-thiazole-2-carbonyl(2,2,2-trifluoroethyl)amino]ethyl]-1,3-thiazole-2-carboxamide (PubChem CID 167991195) has the molecular formula C12H11F3N4O2S2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[2-[1,3-thiazole-2-carbonyl(2,2,2-trifluoroethyl)amino]ethyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1,3-thiazole-2-carbonyl(2,2,2-trifluoroethyl)amino]ethyl]-1,3-thiazole-2-carboxamide
PubChem CID167991195
Molecular FormulaC12H11F3N4O2S2
Molecular Weight364.37 g/mol
Exact Mass364.03
IUPAC NameN-[2-[1,3-thiazole-2-carbonyl(2,2,2-trifluoroethyl)amino]ethyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCCN(CC(F)(F)F)C(=O)c1nccs1)c1nccs1
InChIInChI=1S/C12H11F3N4O2S2/c13-12(14,15)7-19(11(21)10-18-3-6-23-10)4-1-16-8(20)9-17-2-5-22-9/h2-3,5-6H,1,4,7H2,(H,16,20)
InChIKeyDCAVQNZMTCSWBC-UHFFFAOYSA-N
XLogP2.03
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 62492184
(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237746
2-[(N-trifluoroacetylglycyl)amino]methylthiazole
CID 22916669
2-(N-methyl-N-trifluoroacetylaminomethylcarbonyl)aminomethylthiazole
CID 22916734
(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 54244431
(2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 54244432
2,2,2-Trifluoro-1-[4-(thiazole-2-carbonyl)-piperazin-1-yl]-ethanone
CID 59626129
Piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 66771808
N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
CID 83406108
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide
CID 147490244
N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide
CID 153937876
Thiazol-2-ylthiazolidin-4-one
CID 129761723

Frequently Asked Questions

What is the IUPAC name of N-[2-[1,3-thiazole-2-carbonyl(2,2,2-trifluoroethyl)amino]ethyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-[1,3-thiazole-2-carbonyl(2,2,2-trifluoroethyl)amino]ethyl]-1,3-thiazole-2-carboxamide (CID 167991195) is N-[2-[1,3-thiazole-2-carbonyl(2,2,2-trifluoroethyl)amino]ethyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-[1,3-thiazole-2-carbonyl(2,2,2-trifluoroethyl)amino]ethyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-[1,3-thiazole-2-carbonyl(2,2,2-trifluoroethyl)amino]ethyl]-1,3-thiazole-2-carboxamide is O=C(NCCN(CC(F)(F)F)C(=O)c1nccs1)c1nccs1.
What is the InChIKey of N-[2-[1,3-thiazole-2-carbonyl(2,2,2-trifluoroethyl)amino]ethyl]-1,3-thiazole-2-carboxamide?
The InChIKey is DCAVQNZMTCSWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2S2/c13-12(14,15)7-19(11(21)10-18-3-6-23-10)4-1-16-8(20)9-17-2-5-22-9/h2-3,5-6H,1,4,7H2,(H,16,20).
What are the key properties of N-[2-[1,3-thiazole-2-carbonyl(2,2,2-trifluoroethyl)amino]ethyl]-1,3-thiazole-2-carboxamide?
N-[2-[1,3-thiazole-2-carbonyl(2,2,2-trifluoroethyl)amino]ethyl]-1,3-thiazole-2-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1,3-thiazole-2-carbonyl(2,2,2-trifluoroethyl)amino]ethyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 167991195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).