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

C10H9F2N3S — CID 103360175

IUPAC5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCc2ccc(F)c(F)c2)sn1
InChIInChI=1S/C10H9F2N3S/c11-7-2-1-6(3-8(7)12)5-14-10-4-9(13)15-16-10/h1-4,14H,5H2,(H2,13,15)
InChIKeyFQHHVDUUCKTJNI-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.62
Rot. Bonds3

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

5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103360175) has the molecular formula C10H9F2N3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103360175
Molecular FormulaC10H9F2N3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCc2ccc(F)c(F)c2)sn1
InChIInChI=1S/C10H9F2N3S/c11-7-2-1-6(3-8(7)12)5-14-10-4-9(13)15-16-10/h1-4,14H,5H2,(H2,13,15)
InChIKeyFQHHVDUUCKTJNI-UHFFFAOYSA-N
XLogP2.62
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103364033
5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine
CID 54965666
4-cyclopropyl-5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103360173
2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
CID 78988973
4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80805632
6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717976
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 80804456
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
1-N-[(3,4-difluorophenyl)methyl]-4-fluorobenzene-1,2-diamine
CID 54965616
2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine
CID 80961888
4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80954744

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine (CID 103360175) is 5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine is Nc1cc(NCc2ccc(F)c(F)c2)sn1.
What is the InChIKey of 5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is FQHHVDUUCKTJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S/c11-7-2-1-6(3-8(7)12)5-14-10-4-9(13)15-16-10/h1-4,14H,5H2,(H2,13,15).
What are the key properties of 5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine?
5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 241.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).