N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide

C17H20ClN3OS — CID 119476448

IUPACN-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESNC1CCC(NC(=O)Cc2csc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C17H20ClN3OS/c18-15-4-2-1-3-14(15)17-21-13(10-23-17)9-16(22)20-12-7-5-11(19)6-8-12/h1-4,10-12H,5-9,19H2,(H,20,22)
InChIKeyRDGPGNMRDAHUOD-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.39
Rot. Bonds4

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

N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 119476448) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID119476448
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC NameN-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESNC1CCC(NC(=O)Cc2csc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C17H20ClN3OS/c18-15-4-2-1-3-14(15)17-21-13(10-23-17)9-16(22)20-12-7-5-11(19)6-8-12/h1-4,10-12H,5-9,19H2,(H,20,22)
InChIKeyRDGPGNMRDAHUOD-UHFFFAOYSA-N
XLogP3.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-methoxyacetamide
CID 51279381
N-(4-aminocyclohexyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119474502
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide
CID 166231856
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
N-(2-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119627873
N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119406639
2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 9399292
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119411051
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 43031352
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide (CID 119476448) is N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide is NC1CCC(NC(=O)Cc2csc(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is RDGPGNMRDAHUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c18-15-4-2-1-3-14(15)17-21-13(10-23-17)9-16(22)20-12-7-5-11(19)6-8-12/h1-4,10-12H,5-9,19H2,(H,20,22).
What are the key properties of N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 349.89 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 119476448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).