N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide

C18H22ClN3O2S — CID 56521362

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
SMILESCCN(CC)C(=O)CCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H22ClN3O2S/c1-3-22(4-2)17(24)7-5-6-16(23)21-18-20-15(12-25-18)13-8-10-14(19)11-9-13/h8-12H,3-7H2,1-2H3,(H,20,21,23)
InChIKeyMXKULJHHSCMILK-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.44
Rot. Bonds8

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide (PubChem CID 56521362) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
PubChem CID56521362
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
SMILESCCN(CC)C(=O)CCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H22ClN3O2S/c1-3-22(4-2)17(24)7-5-6-16(23)21-18-20-15(12-25-18)13-8-10-14(19)11-9-13/h8-12H,3-7H2,1-2H3,(H,20,21,23)
InChIKeyMXKULJHHSCMILK-UHFFFAOYSA-N
XLogP4.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
CID 56521249
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
CID 56521368
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 43470750
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]nonanehydrazide
CID 2718859
ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
CID 3624682
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N,N'-bis[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]pentanediamide
CID 4582028
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide (CID 56521362) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide is CCN(CC)C(=O)CCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide?
The InChIKey is MXKULJHHSCMILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c1-3-22(4-2)17(24)7-5-6-16(23)21-18-20-15(12-25-18)13-8-10-14(19)11-9-13/h8-12H,3-7H2,1-2H3,(H,20,21,23).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide has a molecular weight of 379.91 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide is sourced from PubChem (CID 56521362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).