2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide

C21H29N3O2S — CID 42765586

IUPAC2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(CN(CCC)C(=O)C(CC)c2ccccc2)n1
InChIInChI=1S/C21H29N3O2S/c1-4-12-22-20(25)18-15-27-19(23-18)14-24(13-5-2)21(26)17(6-3)16-10-8-7-9-11-16/h7-11,15,17H,4-6,12-14H2,1-3H3,(H,22,25)
InChIKeySNSCIUOOBDCALF-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.22
Rot. Bonds10

About 2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide

2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 42765586) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID42765586
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(CN(CCC)C(=O)C(CC)c2ccccc2)n1
InChIInChI=1S/C21H29N3O2S/c1-4-12-22-20(25)18-15-27-19(23-18)14-24(13-5-2)21(26)17(6-3)16-10-8-7-9-11-16/h7-11,15,17H,4-6,12-14H2,1-3H3,(H,22,25)
InChIKeySNSCIUOOBDCALF-UHFFFAOYSA-N
XLogP4.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-phenylbutanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3997685
methyl 2-[[3-methylbutyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 7328603
2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 4031668
2-[[decanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 4660175
2-[[benzenesulfonyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42765774
2-[[(2-chloro-2-phenylacetyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 4637822
N-propyl-2-[[propyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 42765731
2-[[(4-pentylbenzoyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 3256571
2-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 7264844
2-[[(2,4-dichlorophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 5192628
N-butyl-2-[[(4-chlorophenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 3924207
2-[[(4-chlorophenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide
CID 42780781

Frequently Asked Questions

What is the IUPAC name of 2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide (CID 42765586) is 2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide is CCCNC(=O)c1csc(CN(CCC)C(=O)C(CC)c2ccccc2)n1.
What is the InChIKey of 2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is SNSCIUOOBDCALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-4-12-22-20(25)18-15-27-19(23-18)14-24(13-5-2)21(26)17(6-3)16-10-8-7-9-11-16/h7-11,15,17H,4-6,12-14H2,1-3H3,(H,22,25).
What are the key properties of 2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 387.55 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42765586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).