N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C13H20F3N3OS — CID 62768544

IUPACN-cyclopropyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(CC(F)(F)F)C2CC2)nc1C
InChIInChI=1S/C13H20F3N3OS/c1-9-11(7-17-5-6-20-2)21-12(18-9)19(10-3-4-10)8-13(14,15)16/h10,17H,3-8H2,1-2H3
InChIKeyDBMQFMCJBIEKIO-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.72
Rot. Bonds8

About N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62768544) has the molecular formula C13H20F3N3OS and a molecular weight of 323.38 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62768544
Molecular FormulaC13H20F3N3OS
Molecular Weight323.38 g/mol
Exact Mass323.13
IUPAC NameN-cyclopropyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(CC(F)(F)F)C2CC2)nc1C
InChIInChI=1S/C13H20F3N3OS/c1-9-11(7-17-5-6-20-2)21-12(18-9)19(10-3-4-10)8-13(14,15)16/h10,17H,3-8H2,1-2H3
InChIKeyDBMQFMCJBIEKIO-UHFFFAOYSA-N
XLogP2.72
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 53551652
CID 53551652
CID 95159202
CID 95159202
CID 55117368
CID 55117368
CID 55117415
CID 55117415
CID 55117845
CID 55117845
CID 55117891
CID 55117891
CID 55117893
CID 55117893
CID 55117942
CID 55117942
CID 62766815
CID 62766815
CID 62766816
CID 62766816
CID 62766817
CID 62766817
CID 62766986
CID 62766986

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62768544) is N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is COCCNCc1sc(N(CC(F)(F)F)C2CC2)nc1C.
What is the InChIKey of N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is DBMQFMCJBIEKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3OS/c1-9-11(7-17-5-6-20-2)21-12(18-9)19(10-3-4-10)8-13(14,15)16/h10,17H,3-8H2,1-2H3.
What are the key properties of N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 323.38 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).