2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide

C20H19ClN4OS — CID 71905947

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide
SMILESCc1ccnc(C(NC(=O)Cc2csc(-c3ccccc3Cl)n2)C2CC2)n1
InChIInChI=1S/C20H19ClN4OS/c1-12-8-9-22-19(23-12)18(13-6-7-13)25-17(26)10-14-11-27-20(24-14)15-4-2-3-5-16(15)21/h2-5,8-9,11,13,18H,6-7,10H2,1H3,(H,25,26)
InChIKeyRUJIYOLCUJRHQE-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.37
Rot. Bonds6

About 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide (PubChem CID 71905947) has the molecular formula C20H19ClN4OS and a molecular weight of 398.92 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide
PubChem CID71905947
Molecular FormulaC20H19ClN4OS
Molecular Weight398.92 g/mol
Exact Mass398.10
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide
SMILESCc1ccnc(C(NC(=O)Cc2csc(-c3ccccc3Cl)n2)C2CC2)n1
InChIInChI=1S/C20H19ClN4OS/c1-12-8-9-22-19(23-12)18(13-6-7-13)25-17(26)10-14-11-27-20(24-14)15-4-2-3-5-16(15)21/h2-5,8-9,11,13,18H,6-7,10H2,1H3,(H,25,26)
InChIKeyRUJIYOLCUJRHQE-UHFFFAOYSA-N
XLogP4.37
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 43031352
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 75395364
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 43031335
N-[(1S)-1-(1-adamantyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 7669216
N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide
CID 97330343
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 74586473
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119476448
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 47035370
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)propyl]acetamide
CID 46432452

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide (CID 71905947) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide is Cc1ccnc(C(NC(=O)Cc2csc(-c3ccccc3Cl)n2)C2CC2)n1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide?
The InChIKey is RUJIYOLCUJRHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4OS/c1-12-8-9-22-19(23-12)18(13-6-7-13)25-17(26)10-14-11-27-20(24-14)15-4-2-3-5-16(15)21/h2-5,8-9,11,13,18H,6-7,10H2,1H3,(H,25,26).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide has a molecular weight of 398.92 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 71905947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).