2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide

C21H27N3O2S — CID 4031668

IUPAC2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(CN(CCC)C(=O)C2CC2c2ccccc2)n1
InChIInChI=1S/C21H27N3O2S/c1-3-10-22-20(25)18-14-27-19(23-18)13-24(11-4-2)21(26)17-12-16(17)15-8-6-5-7-9-15/h5-9,14,16-17H,3-4,10-13H2,1-2H3,(H,22,25)
InChIKeyGYEGULOAQKEKQE-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.83
Rot. Bonds9

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

2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 4031668) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID4031668
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(CN(CCC)C(=O)C2CC2c2ccccc2)n1
InChIInChI=1S/C21H27N3O2S/c1-3-10-22-20(25)18-14-27-19(23-18)13-24(11-4-2)21(26)17-12-16(17)15-8-6-5-7-9-15/h5-9,14,16-17H,3-4,10-13H2,1-2H3,(H,22,25)
InChIKeyGYEGULOAQKEKQE-UHFFFAOYSA-N
XLogP3.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

methyl 2-[[3-methylbutyl-(2-phenylcyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 4666400
ethyl 2-[[3-methoxypropyl-(2-phenylcyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3885292
2-[[2-phenylbutanoyl(propyl)amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42765586
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
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
N-butyl-2-[[butyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 3323759
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-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 3954335
methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 811069

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide (CID 4031668) is 2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide is CCCNC(=O)c1csc(CN(CCC)C(=O)C2CC2c2ccccc2)n1.
What is the InChIKey of 2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is GYEGULOAQKEKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-3-10-22-20(25)18-14-27-19(23-18)13-24(11-4-2)21(26)17-12-16(17)15-8-6-5-7-9-15/h5-9,14,16-17H,3-4,10-13H2,1-2H3,(H,22,25).
What are the key properties of 2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide?
2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 4031668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).