(2,2,3,3-tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C12H17F3N2S — CID 106785485

IUPAC(2,2,3,3-tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCC1(C)C(C(N)c2cnc(C(F)(F)F)s2)C1(C)C
InChIInChI=1S/C12H17F3N2S/c1-10(2)8(11(10,3)4)7(16)6-5-17-9(18-6)12(13,14)15/h5,7-8H,16H2,1-4H3
InChIKeyKYBPFNFEFWCQQN-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.84
Rot. Bonds2

About (2,2,3,3-tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

(2,2,3,3-tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106785485) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is (2,2,3,3-tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name(2,2,3,3-tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106785485
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name(2,2,3,3-tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCC1(C)C(C(N)c2cnc(C(F)(F)F)s2)C1(C)C
InChIInChI=1S/C12H17F3N2S/c1-10(2)8(11(10,3)4)7(16)6-5-17-9(18-6)12(13,14)15/h5,7-8H,16H2,1-4H3
InChIKeyKYBPFNFEFWCQQN-UHFFFAOYSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2-(1,3-thiazol-5-yl)-2-(trifluoromethyl)piperidin-4-amine
CID 117721481
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
2-(4,4-Difluoropiperidin-1-yl)-2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]ethanamine
CID 123429598
4-[2-(Difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 146435255
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole
CID 166826846
5-Octan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 167185113
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 61686724
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 61686725
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 61686769
N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)butan-1-amine
CID 80477857
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)butan-1-amine
CID 80478980

Frequently Asked Questions

What is the IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106785485) is (2,2,3,3-tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for (2,2,3,3-tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for (2,2,3,3-tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CC1(C)C(C(N)c2cnc(C(F)(F)F)s2)C1(C)C.
What is the InChIKey of (2,2,3,3-tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is KYBPFNFEFWCQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-10(2)8(11(10,3)4)7(16)6-5-17-9(18-6)12(13,14)15/h5,7-8H,16H2,1-4H3.
What are the key properties of (2,2,3,3-tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
(2,2,3,3-tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 278.34 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3-tetramethylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106785485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).