N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine

C8H10ClF3N2S — CID 79764478

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1cnc(Cl)s1
InChIInChI=1S/C8H10ClF3N2S/c1-14(3-2-8(10,11)12)5-6-4-13-7(9)15-6/h4H,2-3,5H2,1H3
InChIKeySVQYYRIZLYNBPL-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.18
Rot. Bonds4

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 79764478) has the molecular formula C8H10ClF3N2S and a molecular weight of 258.70 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID79764478
Molecular FormulaC8H10ClF3N2S
Molecular Weight258.70 g/mol
Exact Mass258.02
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1cnc(Cl)s1
InChIInChI=1S/C8H10ClF3N2S/c1-14(3-2-8(10,11)12)5-6-4-13-7(9)15-6/h4H,2-3,5H2,1H3
InChIKeySVQYYRIZLYNBPL-UHFFFAOYSA-N
XLogP3.18
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-cyano-N-methylethanimidamide
CID 9837492
2-Chloro-5-aminomethylthiazole
CID 10154129
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methylpiperidine
CID 4616493
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidine
CID 1481531
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidine
CID 3736777
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 19046697
2-Chloro-5-(trifluoromethyl)-1,3-thiazole
CID 68281854
1-Allyl-4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazine
CID 1475127
2-Chloro-5-(difluoromethyl)-1,3-thiazole
CID 84653623
[(2-Chloro-1,3-thiazol-5-yl)methyl](2-methylpropyl)amine hydrochloride
CID 154814392
1-[2-(Difluoromethyl)-1,3-thiazol-5-yl]methanamine hydrochloride
CID 165691597
2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 1481538

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (CID 79764478) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is CN(CCC(F)(F)F)Cc1cnc(Cl)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is SVQYYRIZLYNBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2S/c1-14(3-2-8(10,11)12)5-6-4-13-7(9)15-6/h4H,2-3,5H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 258.70 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 79764478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).