N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine

C14H18FN3S — CID 79771666

IUPACN-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN(C)Cc2ccccc2F)s1
InChIInChI=1S/C14H18FN3S/c1-3-16-14-17-8-12(19-14)10-18(2)9-11-6-4-5-7-13(11)15/h4-8H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyBIBSDPCVTSWGIA-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.35
Rot. Bonds6

About N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine

N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 79771666) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID79771666
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC NameN-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN(C)Cc2ccccc2F)s1
InChIInChI=1S/C14H18FN3S/c1-3-16-14-17-8-12(19-14)10-18(2)9-11-6-4-5-7-13(11)15/h4-8H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyBIBSDPCVTSWGIA-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-3-thiazol-2-yl-thiourea
CID 700723
N,5-Diphenyl-1,3-thiazol-2-amine
CID 619921
Thiourea, N-(2-(2-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001162
Thiourea, N-(2-(3-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001163
Thiourea, N-(2-(4-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001164
5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 935229
N-(5-((4-phenylpiperidin-1-yl)methyl)thiazol-2-yl)acetamide
CID 778225
5-Phenyl-thiazol-2-ylamine
CID 873119
5-benzyl-N-methyl-1,3-thiazol-2-amine
CID 1229694
1-(1-Phenyl-propyl)-3-thiazol-2-yl-thiourea
CID 3003038
N-[5-(4-fluoro-4-phenyl-piperidin-1-ylmethyl)-thiazol-2-yl]-acetamide
CID 86275306
5-(3-phenyl-4-pyridinyl)-N-propyl-1,3-thiazol-2-amine
CID 117918945

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine (CID 79771666) is N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine is CCNc1ncc(CN(C)Cc2ccccc2F)s1.
What is the InChIKey of N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is BIBSDPCVTSWGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-3-16-14-17-8-12(19-14)10-18(2)9-11-6-4-5-7-13(11)15/h4-8H,3,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine?
N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 279.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79771666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).