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

C14H16FN3S — CID 103361506

IUPAC4-cyclopropyl-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCN(Cc1ccccc1F)c1snc(N)c1C1CC1
InChIInChI=1S/C14H16FN3S/c1-18(8-10-4-2-3-5-11(10)15)14-12(9-6-7-9)13(16)17-19-14/h2-5,9H,6-8H2,1H3,(H2,16,17)
InChIKeyGCSWILPDAAEYMV-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.38
Rot. Bonds4

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

4-cyclopropyl-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103361506) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103361506
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name4-cyclopropyl-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCN(Cc1ccccc1F)c1snc(N)c1C1CC1
InChIInChI=1S/C14H16FN3S/c1-18(8-10-4-2-3-5-11(10)15)14-12(9-6-7-9)13(16)17-19-14/h2-5,9H,6-8H2,1H3,(H2,16,17)
InChIKeyGCSWILPDAAEYMV-UHFFFAOYSA-N
XLogP3.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-5-(benzylamino)-1,2-thiazole-4-carbonitrile
CID 14171367
5-N-[(2-bromo-5-fluorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103359225
5-N-[(5-bromo-2-fluorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103359492
5-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103360062
4-cyclopropyl-5-N-[1-(4-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103360063
5-N-[1-(4-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103360065
4-cyclopropyl-5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103360089
5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103360091
5-N-[(3,4-difluorophenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360170
4-cyclopropyl-5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103360173
5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103360175
5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103360914

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103361506) is 4-cyclopropyl-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine is CN(Cc1ccccc1F)c1snc(N)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is GCSWILPDAAEYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-18(8-10-4-2-3-5-11(10)15)14-12(9-6-7-9)13(16)17-19-14/h2-5,9H,6-8H2,1H3,(H2,16,17).
What are the key properties of 4-cyclopropyl-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 277.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).