2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide

C18H18ClN3OS — CID 9174035

IUPAC2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(CC(N)=O)nc1-c1cc(C)n(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H18ClN3OS/c1-10-8-15(18-12(3)24-17(21-18)9-16(20)23)11(2)22(10)14-6-4-13(19)5-7-14/h4-8H,9H2,1-3H3,(H2,20,23)
InChIKeyHNHOLJMGRVDNMD-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.21
Rot. Bonds4

About 2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide

2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 9174035) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is 2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID9174035
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(CC(N)=O)nc1-c1cc(C)n(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H18ClN3OS/c1-10-8-15(18-12(3)24-17(21-18)9-16(20)23)11(2)22(10)14-6-4-13(19)5-7-14/h4-8H,9H2,1-3H3,(H2,20,23)
InChIKeyHNHOLJMGRVDNMD-UHFFFAOYSA-N
XLogP4.21
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 9174025
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
2-amino-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 152935672
2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 9174059
ethyl 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetate
CID 70984214
1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide
CID 69057259
2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112693890
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole
CID 44570185
N-[(2S)-1-aminopropan-2-yl]-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 120505660
3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile
CID 2478622
2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid
CID 155135193
2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methylpropanoic acid
CID 3042746

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide (CID 9174035) is 2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide is Cc1sc(CC(N)=O)nc1-c1cc(C)n(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is HNHOLJMGRVDNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c1-10-8-15(18-12(3)24-17(21-18)9-16(20)23)11(2)22(10)14-6-4-13(19)5-7-14/h4-8H,9H2,1-3H3,(H2,20,23).
What are the key properties of 2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide?
2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 359.88 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9174035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).