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

C15H16FN3S — CID 114367781

IUPACN-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESFc1cccnc1-c1nc(C2CC2)c(CNC2CC2)s1
InChIInChI=1S/C15H16FN3S/c16-11-2-1-7-17-14(11)15-19-13(9-3-4-9)12(20-15)8-18-10-5-6-10/h1-2,7,9-10,18H,3-6,8H2
InChIKeyAJICJLJRJBJWDF-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.47
Rot. Bonds5

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

N-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114367781) has the molecular formula C15H16FN3S and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114367781
Molecular FormulaC15H16FN3S
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC NameN-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESFc1cccnc1-c1nc(C2CC2)c(CNC2CC2)s1
InChIInChI=1S/C15H16FN3S/c16-11-2-1-7-17-14(11)15-19-13(9-3-4-9)12(20-15)8-18-10-5-6-10/h1-2,7,9-10,18H,3-6,8H2
InChIKeyAJICJLJRJBJWDF-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[4-ethyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841874
N-[(4-cyclopropyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82437415
N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103445265
N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 103445237
N-[[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82437388
4-[4-cyclopropyl-5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889330
N-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363130
N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82437258
N-[[2-(3-ethyl-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114365516
N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62403915
4-cyclopropyl-5-[(cyclopropylamino)methyl]-1,3-thiazol-2-amine
CID 114367607
1-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362442

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114367781) is N-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is Fc1cccnc1-c1nc(C2CC2)c(CNC2CC2)s1.
What is the InChIKey of N-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is AJICJLJRJBJWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3S/c16-11-2-1-7-17-14(11)15-19-13(9-3-4-9)12(20-15)8-18-10-5-6-10/h1-2,7,9-10,18H,3-6,8H2.
What are the key properties of N-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 289.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114367781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).