N-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide

C14H14Cl2N2OS — CID 82155229

IUPACN-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)c2nc(CCl)cs2)cc1Cl
InChIInChI=1S/C14H14Cl2N2OS/c1-8-3-4-10(5-12(8)16)17-13(19)9(2)14-18-11(6-15)7-20-14/h3-5,7,9H,6H2,1-2H3,(H,17,19)
InChIKeyLDPNHZGMSCEYEU-UHFFFAOYSA-N
MW329.25 g/mol
LogP4.59
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide

N-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 82155229) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID82155229
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)c2nc(CCl)cs2)cc1Cl
InChIInChI=1S/C14H14Cl2N2OS/c1-8-3-4-10(5-12(8)16)17-13(19)9(2)14-18-11(6-15)7-20-14/h3-5,7,9H,6H2,1-2H3,(H,17,19)
InChIKeyLDPNHZGMSCEYEU-UHFFFAOYSA-N
XLogP4.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate
CID 9158154
2-[2-[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 9158193
2-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 16642334
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
2-[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 9158332
2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 16642297
3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide
CID 110330184
2-[2-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 9158127
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide
CID 82358486
2-[2-[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 9158170
N-(3-chloro-4-methylphenyl)-2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]acetamide
CID 24855351
N-(3-chloro-4-methylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]propanamide
CID 82202046

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide (CID 82155229) is N-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(NC(=O)C(C)c2nc(CCl)cs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is LDPNHZGMSCEYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c1-8-3-4-10(5-12(8)16)17-13(19)9(2)14-18-11(6-15)7-20-14/h3-5,7,9H,6H2,1-2H3,(H,17,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide?
N-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 329.25 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 82155229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).