4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine

C8H12F3N3OS — CID 103361718

IUPAC4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCCOCC(F)(F)F
InChIInChI=1S/C8H12F3N3OS/c1-5-6(12)14-16-7(5)13-2-3-15-4-8(9,10)11/h13H,2-4H2,1H3,(H2,12,14)
InChIKeyRBNATUIGSYQTFH-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.02
Rot. Bonds5

About 4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine

4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103361718) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is 4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103361718
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCCOCC(F)(F)F
InChIInChI=1S/C8H12F3N3OS/c1-5-6(12)14-16-7(5)13-2-3-15-4-8(9,10)11/h13H,2-4H2,1H3,(H2,12,14)
InChIKeyRBNATUIGSYQTFH-UHFFFAOYSA-N
XLogP2.02
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361147
4-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361148
4-propan-2-yloxy-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361150
3-amino-N,N-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]-1,2-thiazole-4-sulfonamide
CID 103361716
5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103361721
4-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103363598
5-N-(2,2-difluoroethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103364765
5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103364767
4-ethoxy-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364949
4-methyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364950
4-methyl-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103364977
4-methylsulfonyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103380695

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine (CID 103361718) is 4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCCOCC(F)(F)F.
What is the InChIKey of 4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is RBNATUIGSYQTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c1-5-6(12)14-16-7(5)13-2-3-15-4-8(9,10)11/h13H,2-4H2,1H3,(H2,12,14).
What are the key properties of 4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine?
4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 255.26 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).