N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C10H16F3N3S — CID 55112013

IUPACN-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(C)CC(F)(F)F)s1
InChIInChI=1S/C10H16F3N3S/c1-3-4-14-5-8-6-15-9(17-8)16(2)7-10(11,12)13/h6,14H,3-5,7H2,1-2H3
InChIKeyLSDCWZHDQJCFPH-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.64
Rot. Bonds6

About N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 55112013) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID55112013
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC NameN-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(C)CC(F)(F)F)s1
InChIInChI=1S/C10H16F3N3S/c1-3-4-14-5-8-6-15-9(17-8)16(2)7-10(11,12)13/h6,14H,3-5,7H2,1-2H3
InChIKeyLSDCWZHDQJCFPH-UHFFFAOYSA-N
XLogP2.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Thiazolamine, N-methyl-5-(trifluoromethyl)-
CID 11074029
5-methyl-N-prop-2-enyl-1,3-thiazol-2-amine
CID 3101501
5-Methyl-2-(piperazin-1-yl)thiazole
CID 21100190
N,5-dimethylthiazol-2-amine
CID 817028
4,4-Difluoro-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidine
CID 77091277
[1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide
CID 15925069
1-(5-Trifluoromethyl-thiazol-2-yl)-piperazine hydrochloride
CID 21100200
1-[5-(Trifluoromethyl)-2-thiazolyl]piperazine
CID 21100201
N-[5-[(2-aminoethylamino)methyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 88680398
2-(3,3-Difluoropyrrolidin-1-yl)-5-methyl-1,3-thiazole
CID 89652816
5-[(3,3-Difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120902687
N',N'-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 121378930

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 55112013) is N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCNCc1cnc(N(C)CC(F)(F)F)s1.
What is the InChIKey of N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is LSDCWZHDQJCFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-3-4-14-5-8-6-15-9(17-8)16(2)7-10(11,12)13/h6,14H,3-5,7H2,1-2H3.
What are the key properties of N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 267.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55112013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).