(1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine

C18H25FN4S — CID 97231931

IUPAC(1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
SMILESCc1nc(CN2CCC(CN[C@H](C)c3cncc(F)c3)CC2)cs1
InChIInChI=1S/C18H25FN4S/c1-13(16-7-17(19)10-20-9-16)21-8-15-3-5-23(6-4-15)11-18-12-24-14(2)22-18/h7,9-10,12-13,15,21H,3-6,8,11H2,1-2H3/t13-/m1/s1
InChIKeyMQKJYZHMSLVJCE-CYBMUJFWSA-N
MW348.49 g/mol
LogP3.55
Rot. Bonds6

About (1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine

(1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 97231931) has the molecular formula C18H25FN4S and a molecular weight of 348.49 g/mol. Its IUPAC name is (1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
PubChem CID97231931
Molecular FormulaC18H25FN4S
Molecular Weight348.49 g/mol
Exact Mass348.18
IUPAC Name(1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
SMILESCc1nc(CN2CCC(CN[C@H](C)c3cncc(F)c3)CC2)cs1
InChIInChI=1S/C18H25FN4S/c1-13(16-7-17(19)10-20-9-16)21-8-15-3-5-23(6-4-15)11-18-12-24-14(2)22-18/h7,9-10,12-13,15,21H,3-6,8,11H2,1-2H3/t13-/m1/s1
InChIKeyMQKJYZHMSLVJCE-CYBMUJFWSA-N
XLogP3.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

N-[(1-ethylpiperidin-4-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103781450
N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55258935
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine
CID 75428140
1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107166794
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
N-[1-(5-fluoro-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 62798649
1-(5-fluoro-3-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113260063
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 55168538
1-[2-(3-fluorophenoxy)butyl]-2-methyl-3-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 109475922
methyl 5-cyclopropyl-2-fluoro-4-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]benzoate
CID 118111194
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133372614

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine (CID 97231931) is (1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine is Cc1nc(CN2CCC(CN[C@H](C)c3cncc(F)c3)CC2)cs1.
What is the InChIKey of (1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is MQKJYZHMSLVJCE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25FN4S/c1-13(16-7-17(19)10-20-9-16)21-8-15-3-5-23(6-4-15)11-18-12-24-14(2)22-18/h7,9-10,12-13,15,21H,3-6,8,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine?
(1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 348.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-fluoro-3-pyridinyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 97231931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).