2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride

C11H16ClF3N4O2S — CID 120795509

IUPAC2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1nnc(CC(F)(F)F)s1)C1CCOCC1
InChIInChI=1S/C11H15F3N4O2S.ClH/c12-11(13,14)5-7-17-18-10(21-7)16-9(19)8(15)6-1-3-20-4-2-6;/h6,8H,1-5,15H2,(H,16,18,19);1H
InChIKeyUIRFLGCTPXPTAK-UHFFFAOYSA-N
MW360.79 g/mol
LogP1.76
Rot. Bonds4

About 2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride

2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride (PubChem CID 120795509) has the molecular formula C11H16ClF3N4O2S and a molecular weight of 360.79 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride
PubChem CID120795509
Molecular FormulaC11H16ClF3N4O2S
Molecular Weight360.79 g/mol
Exact Mass360.06
IUPAC Name2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1nnc(CC(F)(F)F)s1)C1CCOCC1
InChIInChI=1S/C11H15F3N4O2S.ClH/c12-11(13,14)5-7-17-18-10(21-7)16-9(19)8(15)6-1-3-20-4-2-6;/h6,8H,1-5,15H2,(H,16,18,19);1H
InChIKeyUIRFLGCTPXPTAK-UHFFFAOYSA-N
XLogP1.76
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.79
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119338753
(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119338754
ethyl 2-[[5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 120783360
2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride
CID 120789401
2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
CID 120790634
N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide
CID 127499950
2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
CID 120786534
2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 120793994
1-[[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122087159
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785843
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120796855
2-amino-2-(oxan-4-yl)-N-(2,4,5-trifluorophenyl)acetamide;hydrochloride
CID 120786077

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride (CID 120795509) is 2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride is Cl.NC(C(=O)Nc1nnc(CC(F)(F)F)s1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride?
The InChIKey is UIRFLGCTPXPTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2S.ClH/c12-11(13,14)5-7-17-18-10(21-7)16-9(19)8(15)6-1-3-20-4-2-6;/h6,8H,1-5,15H2,(H,16,18,19);1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride has a molecular weight of 360.79 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 120795509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).