methyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate

C16H16Cl2N2O3S — CID 1197592

IUPACmethyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCCN(Cc1nc(C(=O)OC)cs1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O3S/c1-3-4-20(8-14-19-13(9-24-14)16(22)23-2)15(21)10-5-11(17)7-12(18)6-10/h5-7,9H,3-4,8H2,1-2H3
InChIKeyAVRLFSNGTXSMNB-UHFFFAOYSA-N
MW387.29 g/mol
LogP4.29
Rot. Bonds6

About methyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate

methyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 1197592) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is methyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID1197592
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Namemethyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCCN(Cc1nc(C(=O)OC)cs1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O3S/c1-3-4-20(8-14-19-13(9-24-14)16(22)23-2)15(21)10-5-11(17)7-12(18)6-10/h5-7,9H,3-4,8H2,1-2H3
InChIKeyAVRLFSNGTXSMNB-UHFFFAOYSA-N
XLogP4.29
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[cyclopropyl-(3,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 1197642
methyl 2-[[(4-butoxybenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate
CID 3652757
methyl 2-[[hexanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 5133058
methyl 2-[[naphthalene-1-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766734
methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 811069
2-[[(3,5-dichlorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 1195970
methyl 2-[[ethylcarbamoyl(pentyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766911
methyl 2-[[propyl(3,5,5-trimethylhexanoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 5034385
methyl 2-[[butanoyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3625106
methyl 2-[[2-phenylbutanoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3997685
ethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 7350511
methyl 2-[[3-phenylprop-2-enoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 810904

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate (CID 1197592) is methyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate is CCCN(Cc1nc(C(=O)OC)cs1)C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is AVRLFSNGTXSMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-3-4-20(8-14-19-13(9-24-14)16(22)23-2)15(21)10-5-11(17)7-12(18)6-10/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of methyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate?
methyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 387.29 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3,5-dichlorobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 1197592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).