N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide

C19H21N3OS2 — CID 4881139

IUPACN-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nc(-c2ccccc2)cs1)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C19H21N3OS2/c1-14(17(23)22-19(13-20)10-6-3-7-11-19)25-18-21-16(12-24-18)15-8-4-2-5-9-15/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,22,23)
InChIKeyCIRJLLAAMXTEIQ-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.63
Rot. Bonds5

About N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide

N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 4881139) has the molecular formula C19H21N3OS2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID4881139
Molecular FormulaC19H21N3OS2
Molecular Weight371.53 g/mol
Exact Mass371.11
IUPAC NameN-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nc(-c2ccccc2)cs1)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C19H21N3OS2/c1-14(17(23)22-19(13-20)10-6-3-7-11-19)25-18-21-16(12-24-18)15-8-4-2-5-9-15/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,22,23)
InChIKeyCIRJLLAAMXTEIQ-UHFFFAOYSA-N
XLogP4.63
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
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(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
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(2S)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide
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(2R)-N-benzyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
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(2S)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 2565156
(2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762424
(2S)-N-(1-cyanocyclohexyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 4881139) is N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is CC(Sc1nc(-c2ccccc2)cs1)C(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The InChIKey is CIRJLLAAMXTEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS2/c1-14(17(23)22-19(13-20)10-6-3-7-11-19)25-18-21-16(12-24-18)15-8-4-2-5-9-15/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,22,23).
What are the key properties of N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 371.53 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 4881139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).