2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide

C14H15Cl2N3OS — CID 3490174

IUPAC2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)NCc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C14H15Cl2N3OS/c1-2-11(17)14-19-12(7-21-14)13(20)18-6-8-3-4-9(15)5-10(8)16/h3-5,7,11H,2,6,17H2,1H3,(H,18,20)
InChIKeyFTSJKLKXISQNFI-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.79
Rot. Bonds5

About 2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide

2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 3490174) has the molecular formula C14H15Cl2N3OS and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID3490174
Molecular FormulaC14H15Cl2N3OS
Molecular Weight344.27 g/mol
Exact Mass343.03
IUPAC Name2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)NCc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C14H15Cl2N3OS/c1-2-11(17)14-19-12(7-21-14)13(20)18-6-8-3-4-9(15)5-10(8)16/h3-5,7,11H,2,6,17H2,1H3,(H,18,20)
InChIKeyFTSJKLKXISQNFI-UHFFFAOYSA-N
XLogP3.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 5000241
2-(1-aminopropyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3830982
2-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3766569
2-(1-aminobutyl)-N-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3858555
2-(1-aminoethyl)-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3705174
2-(1-amino-3-methylbutyl)-N-[(3,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3695889
2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 3832974
2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 3745790
2-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 119757986
2-(1-aminobutyl)-N-[(4-bromophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3790285
5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
CID 71655570
N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
CID 2707271

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 3490174) is 2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide is CCC(N)c1nc(C(=O)NCc2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FTSJKLKXISQNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3OS/c1-2-11(17)14-19-12(7-21-14)13(20)18-6-8-3-4-9(15)5-10(8)16/h3-5,7,11H,2,6,17H2,1H3,(H,18,20).
What are the key properties of 2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 344.27 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3490174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).