N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide

C13H13Cl2N3OS — CID 123670080

IUPACN-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide
SMILESNc1ncc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C13H13Cl2N3OS/c14-10-3-1-8(5-11(10)15)2-4-12(19)17-6-9-7-18-13(16)20-9/h1,3,5,7H,2,4,6H2,(H2,16,18)(H,17,19)
InChIKeyGGWMCNHAWGSEMR-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.28
Rot. Bonds5

About N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide

N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide (PubChem CID 123670080) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide
PubChem CID123670080
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC NameN-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide
SMILESNc1ncc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C13H13Cl2N3OS/c14-10-3-1-8(5-11(10)15)2-4-12(19)17-6-9-7-18-13(16)20-9/h1,3,5,7H,2,4,6H2,(H2,16,18)(H,17,19)
InChIKeyGGWMCNHAWGSEMR-UHFFFAOYSA-N
XLogP3.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 123404615
N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide
CID 68937415
5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120904538
3-(3,4-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 100595712
3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide
CID 100596570
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
CID 120831265
N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide
CID 119628605
3-(3,4-dichlorophenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273952
5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine
CID 120902910
N-[(3,4-dichlorophenyl)methyl]pentanamide
CID 3343442

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide (CID 123670080) is N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide is Nc1ncc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide?
The InChIKey is GGWMCNHAWGSEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3OS/c14-10-3-1-8(5-11(10)15)2-4-12(19)17-6-9-7-18-13(16)20-9/h1,3,5,7H,2,4,6H2,(H2,16,18)(H,17,19).
What are the key properties of N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide?
N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide has a molecular weight of 330.24 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 123670080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).