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

C19H23N3O2S2 — CID 2550334

IUPAC(2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESC[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C19H23N3O2S2/c1-13(17(23)22-18(24)20-15-10-6-3-7-11-15)26-19-21-16(12-25-19)14-8-4-2-5-9-14/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3,(H2,20,22,23,24)/t13-/m0/s1
InChIKeyFSFKADLZYWAVPW-ZDUSSCGKSA-N
MW389.55 g/mol
LogP4.45
Rot. Bonds5

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

(2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 2550334) has the molecular formula C19H23N3O2S2 and a molecular weight of 389.55 g/mol. Its IUPAC name is (2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID2550334
Molecular FormulaC19H23N3O2S2
Molecular Weight389.55 g/mol
Exact Mass389.12
IUPAC Name(2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESC[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C19H23N3O2S2/c1-13(17(23)22-18(24)20-15-10-6-3-7-11-15)26-19-21-16(12-25-19)14-8-4-2-5-9-14/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3,(H2,20,22,23,24)/t13-/m0/s1
InChIKeyFSFKADLZYWAVPW-ZDUSSCGKSA-N
XLogP4.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4779584
N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 112778344
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 46811270
(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 9484086
(2R)-N-(cyclohexylcarbamoyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
CID 8731025
ethyl 2-[2-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 7455226
(2S)-N-(cyclopentylcarbamoyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8738957
(2R)-N-benzyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7837092
N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4881139
N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide
CID 8956006
(2R)-N-(cyclohexylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7557489
N-(cyclohexylcarbamoyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46826377

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 2550334) is (2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of (2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The InChIKey is FSFKADLZYWAVPW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O2S2/c1-13(17(23)22-18(24)20-15-10-6-3-7-11-15)26-19-21-16(12-25-19)14-8-4-2-5-9-14/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3,(H2,20,22,23,24)/t13-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 389.55 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 2550334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).