adamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine

C15H20F3N3OS — CID 159597306

IUPACadamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNC(=O)C12CC3CC(CC(C3)C1)C2.Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H17NO.C4H3F3N2S/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;5-4(6,7)2-1-10-3(8)9-2/h7-9H,1-6H2,(H2,12,13);1H,(H2,8,9)
InChIKeyMLABSDNDDKGZDT-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.43
Rot. Bonds1

About adamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine

adamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 159597306) has the molecular formula C15H20F3N3OS and a molecular weight of 347.41 g/mol. Its IUPAC name is adamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Nameadamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID159597306
Molecular FormulaC15H20F3N3OS
Molecular Weight347.41 g/mol
Exact Mass347.13
IUPAC Nameadamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNC(=O)C12CC3CC(CC(C3)C1)C2.Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H17NO.C4H3F3N2S/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;5-4(6,7)2-1-10-3(8)9-2/h7-9H,1-6H2,(H2,12,13);1H,(H2,8,9)
InChIKeyMLABSDNDDKGZDT-UHFFFAOYSA-N
XLogP3.43
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze adamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine 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

adamantane-1-carboxamide
CID 21686
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide
CID 110717869
5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-amine;4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 157486988
N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 3107305
4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 20755044
3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 169481820
3-thiophen-3-yladamantane-1-carboxamide
CID 13164829
N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 62799816
(2R)-2-(5-carbamoyl-2-adamantyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid
CID 89431730
1-adamantyl-[3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 3888547
[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate
CID 153327398
(5-carbamoyl-2-adamantyl) 3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 75970416

Frequently Asked Questions

What is the IUPAC name of adamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of adamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 159597306) is adamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for adamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for adamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine is NC(=O)C12CC3CC(CC(C3)C1)C2.Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of adamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is MLABSDNDDKGZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C4H3F3N2S/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;5-4(6,7)2-1-10-3(8)9-2/h7-9H,1-6H2,(H2,12,13);1H,(H2,8,9).
What are the key properties of adamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine?
adamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 347.41 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 159597306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).