2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine

C7H10F3N3S — CID 102768635

IUPAC2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine
SMILESCN(CCC(F)(F)F)c1ncc(N)s1
InChIInChI=1S/C7H10F3N3S/c1-13(3-2-7(8,9)10)6-12-4-5(11)14-6/h4H,2-3,11H2,1H3
InChIKeyJZOCSCNYTZOZIA-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.11
Rot. Bonds3

About 2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine

2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine (PubChem CID 102768635) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine
PubChem CID102768635
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine
SMILESCN(CCC(F)(F)F)c1ncc(N)s1
InChIInChI=1S/C7H10F3N3S/c1-13(3-2-7(8,9)10)6-12-4-5(11)14-6/h4H,2-3,11H2,1H3
InChIKeyJZOCSCNYTZOZIA-UHFFFAOYSA-N
XLogP2.11
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiazole-2,5-diamine
CID 15208336
Guanidine, N-(2-amino-5-thiazolyl)-N'-cyano-N''-methyl-
CID 177805
N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 63226788
2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102767283
2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102767737
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102768077
2-N-cyclopropyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102768083
2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102768085
2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102768086
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine
CID 102768376
2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine
CID 102768430
2-[3-(Trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine
CID 102768637

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine (CID 102768635) is 2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine is CN(CCC(F)(F)F)c1ncc(N)s1.
What is the InChIKey of 2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine?
The InChIKey is JZOCSCNYTZOZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-13(3-2-7(8,9)10)6-12-4-5(11)14-6/h4H,2-3,11H2,1H3.
What are the key properties of 2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine?
2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine has a molecular weight of 225.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).