2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide

C17H21Cl2N3OS — CID 5000241

IUPAC2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NCCc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C17H21Cl2N3OS/c1-2-3-4-14(20)17-22-15(10-24-17)16(23)21-8-7-11-5-6-12(18)9-13(11)19/h5-6,9-10,14H,2-4,7-8,20H2,1H3,(H,21,23)
InChIKeyKKXMPWWFCYRBLM-UHFFFAOYSA-N
MW386.35 g/mol
LogP4.61
Rot. Bonds8

About 2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide

2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 5000241) has the molecular formula C17H21Cl2N3OS and a molecular weight of 386.35 g/mol. Its IUPAC name is 2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID5000241
Molecular FormulaC17H21Cl2N3OS
Molecular Weight386.35 g/mol
Exact Mass385.08
IUPAC Name2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NCCc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C17H21Cl2N3OS/c1-2-3-4-14(20)17-22-15(10-24-17)16(23)21-8-7-11-5-6-12(18)9-13(11)19/h5-6,9-10,14H,2-4,7-8,20H2,1H3,(H,21,23)
InChIKeyKKXMPWWFCYRBLM-UHFFFAOYSA-N
XLogP4.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3490174
2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 3832974
2-(1-aminopentyl)-N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 3835694
2-(1-aminobutyl)-N-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3858555
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
CID 119263881
N-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 5205911
N-[2-(2,4-dichlorophenyl)ethyl]-5-(pentylamino)pyrazine-2-carboxamide
CID 109288120
N-butyl-2-[[butyl-(2,4-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 4587471
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide
CID 62233257
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 5000241) is 2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide is CCCCC(N)c1nc(C(=O)NCCc2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KKXMPWWFCYRBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3OS/c1-2-3-4-14(20)17-22-15(10-24-17)16(23)21-8-7-11-5-6-12(18)9-13(11)19/h5-6,9-10,14H,2-4,7-8,20H2,1H3,(H,21,23).
What are the key properties of 2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 386.35 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 5000241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).