N,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C10H15F3N2S — CID 141151742

IUPACN,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CN(C)Cc1scnc1C(F)(F)F
InChIInChI=1S/C10H15F3N2S/c1-7(2)4-15(3)5-8-9(10(11,12)13)14-6-16-8/h6-7H,4-5H2,1-3H3
InChIKeySFOCZMLRFITRAS-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.25
Rot. Bonds4

About N,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 141151742) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID141151742
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC NameN,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CN(C)Cc1scnc1C(F)(F)F
InChIInChI=1S/C10H15F3N2S/c1-7(2)4-15(3)5-8-9(10(11,12)13)14-6-16-8/h6-7H,4-5H2,1-3H3
InChIKeySFOCZMLRFITRAS-UHFFFAOYSA-N
XLogP3.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 121554106
4-(Trifluoromethyl)-5-thiazolemethanamine
CID 82503914
N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-yn-1-amine
CID 88016676
2-cyclopropyl-N-ethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 173218540
2-methoxy-N-(2-methoxyethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 173218550
3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 173218581
N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 173218590
N-(2,2,2-trifluoroethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 173218608
N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-en-1-amine
CID 173218613
N-(2-cyclopropylethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 173218625
N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 173218658
N-butyl-N-[[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 12953370

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 141151742) is N,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CC(C)CN(C)Cc1scnc1C(F)(F)F.
What is the InChIKey of N,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is SFOCZMLRFITRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-7(2)4-15(3)5-8-9(10(11,12)13)14-6-16-8/h6-7H,4-5H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 252.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 141151742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).