N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine

C14H14F2N2S — CID 106531783

IUPACN-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1csc(C(NC2CC2)c2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H14F2N2S/c1-8-7-19-14(17-8)13(18-12-2-3-12)9-4-10(15)6-11(16)5-9/h4-7,12-13,18H,2-3H2,1H3
InChIKeyAYYTZUGFLIELQF-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.57
Rot. Bonds4

About N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine

N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 106531783) has the molecular formula C14H14F2N2S and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID106531783
Molecular FormulaC14H14F2N2S
Molecular Weight280.34 g/mol
Exact Mass280.08
IUPAC NameN-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1csc(C(NC2CC2)c2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H14F2N2S/c1-8-7-19-14(17-8)13(18-12-2-3-12)9-4-10(15)6-11(16)5-9/h4-7,12-13,18H,2-3H2,1H3
InChIKeyAYYTZUGFLIELQF-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 114859222
N-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 61334863
N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 66116491
N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine
CID 61333875
N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61333244
N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335982
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770608
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770268
N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine
CID 61335257
N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61334813
2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
CID 104770271
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine
CID 61335853

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 106531783) is N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is Cc1csc(C(NC2CC2)c2cc(F)cc(F)c2)n1.
What is the InChIKey of N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is AYYTZUGFLIELQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2S/c1-8-7-19-14(17-8)13(18-12-2-3-12)9-4-10(15)6-11(16)5-9/h4-7,12-13,18H,2-3H2,1H3.
What are the key properties of N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 280.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 106531783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).