cis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide

C20H26FN3OS — CID 166292580

IUPACcis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide
SMILESO=C(NCCCCc1nc(-c2cccnc2)cs1)[C@H]1CCC[C@@H](CF)C1
InChIInChI=1S/C20H26FN3OS/c21-12-15-5-3-6-16(11-15)20(25)23-10-2-1-8-19-24-18(14-26-19)17-7-4-9-22-13-17/h4,7,9,13-16H,1-3,5-6,8,10-12H2,(H,23,25)/t15-,16+/m1/s1
InChIKeyWOPOMFALZLZLQC-CVEARBPZSA-N
MW375.51 g/mol
LogP4.42
Rot. Bonds8

About cis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide

cis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide (PubChem CID 166292580) has the molecular formula C20H26FN3OS and a molecular weight of 375.51 g/mol. Its IUPAC name is cis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide
PubChem CID166292580
Molecular FormulaC20H26FN3OS
Molecular Weight375.51 g/mol
Exact Mass375.18
IUPAC Namecis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide
SMILESO=C(NCCCCc1nc(-c2cccnc2)cs1)[C@H]1CCC[C@@H](CF)C1
InChIInChI=1S/C20H26FN3OS/c21-12-15-5-3-6-16(11-15)20(25)23-10-2-1-8-19-24-18(14-26-19)17-7-4-9-22-13-17/h4,7,9,13-16H,1-3,5-6,8,10-12H2,(H,23,25)/t15-,16+/m1/s1
InChIKeyWOPOMFALZLZLQC-CVEARBPZSA-N
XLogP4.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968662
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N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965021
2,2-dimethyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110317630
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119882610
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317678
N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide
CID 126829364
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119875509
(3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide (CID 166292580) is cis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide is O=C(NCCCCc1nc(-c2cccnc2)cs1)[C@H]1CCC[C@@H](CF)C1.
What is the InChIKey of cis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide?
The InChIKey is WOPOMFALZLZLQC-CVEARBPZSA-N. The full InChI is InChI=1S/C20H26FN3OS/c21-12-15-5-3-6-16(11-15)20(25)23-10-2-1-8-19-24-18(14-26-19)17-7-4-9-22-13-17/h4,7,9,13-16H,1-3,5-6,8,10-12H2,(H,23,25)/t15-,16+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide?
cis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 166292580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).