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

C11H13F3N4S — CID 166305852

IUPACN,1-dimethyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]pyrazol-3-amine
SMILESCN(Cc1cnc(CC(F)(F)F)s1)c1ccn(C)n1
InChIInChI=1S/C11H13F3N4S/c1-17(9-3-4-18(2)16-9)7-8-6-15-10(19-8)5-11(12,13)14/h3-4,6H,5,7H2,1-2H3
InChIKeyRKPSZMWTOPMXMV-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.62
Rot. Bonds4

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

N,1-dimethyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]pyrazol-3-amine (PubChem CID 166305852) has the molecular formula C11H13F3N4S and a molecular weight of 290.31 g/mol. Its IUPAC name is N,1-dimethyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]pyrazol-3-amine
PubChem CID166305852
Molecular FormulaC11H13F3N4S
Molecular Weight290.31 g/mol
Exact Mass290.08
IUPAC NameN,1-dimethyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]pyrazol-3-amine
SMILESCN(Cc1cnc(CC(F)(F)F)s1)c1ccn(C)n1
InChIInChI=1S/C11H13F3N4S/c1-17(9-3-4-18(2)16-9)7-8-6-15-10(19-8)5-11(12,13)14/h3-4,6H,5,7H2,1-2H3
InChIKeyRKPSZMWTOPMXMV-UHFFFAOYSA-N
XLogP2.62
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,1-dimethyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]pyrazol-3-amine with MolForge

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Related Compounds

1-[(1,3-thiazol-5-yl)methyl]-1H-pyrazol-3-amine
CID 112640510
methyl({[2-(1H-pyrazol-1-yl)-1,3-thiazol-5-yl]methyl})amine
CID 130569346
5-Methyl-2-pyrazol-1-yl-1,3-thiazole
CID 101854448
tert-butyl N-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]carbamate
CID 139295156
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine
CID 139295157
N,N-bis[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine
CID 139295161
1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine
CID 142604461
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine
CID 142604464
1-[1-(2,2-Difluoroethyl)pyrazol-3-yl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75477550
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97305938
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2R)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97305939
1-(2,2-difluoroethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
CID 115735744

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]pyrazol-3-amine?
The IUPAC name of N,1-dimethyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]pyrazol-3-amine (CID 166305852) is N,1-dimethyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for N,1-dimethyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]pyrazol-3-amine?
The canonical SMILES for N,1-dimethyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]pyrazol-3-amine is CN(Cc1cnc(CC(F)(F)F)s1)c1ccn(C)n1.
What is the InChIKey of N,1-dimethyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]pyrazol-3-amine?
The InChIKey is RKPSZMWTOPMXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4S/c1-17(9-3-4-18(2)16-9)7-8-6-15-10(19-8)5-11(12,13)14/h3-4,6H,5,7H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]pyrazol-3-amine?
N,1-dimethyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]pyrazol-3-amine has a molecular weight of 290.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 166305852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).