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

C9H12ClF3N2S — CID 79764335

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1cnc(Cl)s1)CC(F)(F)F
InChIInChI=1S/C9H12ClF3N2S/c1-2-3-15(6-9(11,12)13)5-7-4-14-8(10)16-7/h4H,2-3,5-6H2,1H3
InChIKeyZMXDTEGOPIAORD-UHFFFAOYSA-N
MW272.72 g/mol
LogP3.57
Rot. Bonds5

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 79764335) has the molecular formula C9H12ClF3N2S and a molecular weight of 272.72 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID79764335
Molecular FormulaC9H12ClF3N2S
Molecular Weight272.72 g/mol
Exact Mass272.04
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1cnc(Cl)s1)CC(F)(F)F
InChIInChI=1S/C9H12ClF3N2S/c1-2-3-15(6-9(11,12)13)5-7-4-14-8(10)16-7/h4H,2-3,5-6H2,1H3
InChIKeyZMXDTEGOPIAORD-UHFFFAOYSA-N
XLogP3.57
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 79764335) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(Cc1cnc(Cl)s1)CC(F)(F)F.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is ZMXDTEGOPIAORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF3N2S/c1-2-3-15(6-9(11,12)13)5-7-4-14-8(10)16-7/h4H,2-3,5-6H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 272.72 g/mol, XLogP of 3.57, 5 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]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 79764335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).