2-N-(3-fluoro-3-methylbutyl)-1,3-thiazole-2,5-diamine

C8H14FN3S — CID 164654717

IUPAC2-N-(3-fluoro-3-methylbutyl)-1,3-thiazole-2,5-diamine
SMILESCC(C)(F)CCNc1ncc(N)s1
InChIInChI=1S/C8H14FN3S/c1-8(2,9)3-4-11-7-12-5-6(10)13-7/h5H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyUIJPEHNKNSSDAG-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.28
Rot. Bonds4

About 2-N-(3-fluoro-3-methylbutyl)-1,3-thiazole-2,5-diamine

2-N-(3-fluoro-3-methylbutyl)-1,3-thiazole-2,5-diamine (PubChem CID 164654717) has the molecular formula C8H14FN3S and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-N-(3-fluoro-3-methylbutyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-fluoro-3-methylbutyl)-1,3-thiazole-2,5-diamine
PubChem CID164654717
Molecular FormulaC8H14FN3S
Molecular Weight203.29 g/mol
Exact Mass203.09
IUPAC Name2-N-(3-fluoro-3-methylbutyl)-1,3-thiazole-2,5-diamine
SMILESCC(C)(F)CCNc1ncc(N)s1
InChIInChI=1S/C8H14FN3S/c1-8(2,9)3-4-11-7-12-5-6(10)13-7/h5H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyUIJPEHNKNSSDAG-UHFFFAOYSA-N
XLogP2.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1,3-thiazol-2-amine
CID 12707503
N-Butyl-2-thiazolamine
CID 4712356
5-fluoro-N-propan-2-yl-1,3-thiazol-2-amine
CID 90064527
N-[(3S)-3-fluorobutan-2-yl]-1,3-thiazol-2-amine
CID 173949985
Guanidine, N-(2-amino-5-thiazolyl)-N'-cyano-N''-methyl-
CID 177805
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-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine
CID 102768430

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluoro-3-methylbutyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(3-fluoro-3-methylbutyl)-1,3-thiazole-2,5-diamine (CID 164654717) is 2-N-(3-fluoro-3-methylbutyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(3-fluoro-3-methylbutyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(3-fluoro-3-methylbutyl)-1,3-thiazole-2,5-diamine is CC(C)(F)CCNc1ncc(N)s1.
What is the InChIKey of 2-N-(3-fluoro-3-methylbutyl)-1,3-thiazole-2,5-diamine?
The InChIKey is UIJPEHNKNSSDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3S/c1-8(2,9)3-4-11-7-12-5-6(10)13-7/h5H,3-4,10H2,1-2H3,(H,11,12).
What are the key properties of 2-N-(3-fluoro-3-methylbutyl)-1,3-thiazole-2,5-diamine?
2-N-(3-fluoro-3-methylbutyl)-1,3-thiazole-2,5-diamine has a molecular weight of 203.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluoro-3-methylbutyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 164654717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).