N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C14H17F3N4OS — CID 154736194

IUPACN-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCn1ccnc1C(Nc1nc(C(F)(F)F)cs1)C1CCOCC1
InChIInChI=1S/C14H17F3N4OS/c1-21-5-4-18-12(21)11(9-2-6-22-7-3-9)20-13-19-10(8-23-13)14(15,16)17/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyUXSSKRHZFCJHGG-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.48
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 154736194) has the molecular formula C14H17F3N4OS and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID154736194
Molecular FormulaC14H17F3N4OS
Molecular Weight346.38 g/mol
Exact Mass346.11
IUPAC NameN-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCn1ccnc1C(Nc1nc(C(F)(F)F)cs1)C1CCOCC1
InChIInChI=1S/C14H17F3N4OS/c1-21-5-4-18-12(21)11(9-2-6-22-7-3-9)20-13-19-10(8-23-13)14(15,16)17/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyUXSSKRHZFCJHGG-UHFFFAOYSA-N
XLogP3.48
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092
6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine
CID 129483153
4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
CID 154736623
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
6-methyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487208
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 125171084
5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide
CID 128988052
N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]quinoxaline-2-carboxamide
CID 129487226
3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide
CID 128975568
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 128988058
4-ethyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487085
2-(4-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988115

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 154736194) is N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cn1ccnc1C(Nc1nc(C(F)(F)F)cs1)C1CCOCC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is UXSSKRHZFCJHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4OS/c1-21-5-4-18-12(21)11(9-2-6-22-7-3-9)20-13-19-10(8-23-13)14(15,16)17/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,19,20).
What are the key properties of N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 346.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 154736194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).