N-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide

C19H25N3O2S2 — CID 4226698

IUPACN-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
SMILESCc1csc(NC(=O)CN(CC2CCCCC2)C(=O)Cc2cccs2)n1
InChIInChI=1S/C19H25N3O2S2/c1-14-13-26-19(20-14)21-17(23)12-22(11-15-6-3-2-4-7-15)18(24)10-16-8-5-9-25-16/h5,8-9,13,15H,2-4,6-7,10-12H2,1H3,(H,20,21,23)
InChIKeyQDIUQTVSXWDSMI-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.10
Rot. Bonds7

About N-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide

N-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide (PubChem CID 4226698) has the molecular formula C19H25N3O2S2 and a molecular weight of 391.56 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
PubChem CID4226698
Molecular FormulaC19H25N3O2S2
Molecular Weight391.56 g/mol
Exact Mass391.14
IUPAC NameN-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
SMILESCc1csc(NC(=O)CN(CC2CCCCC2)C(=O)Cc2cccs2)n1
InChIInChI=1S/C19H25N3O2S2/c1-14-13-26-19(20-14)21-17(23)12-22(11-15-6-3-2-4-7-15)18(24)10-16-8-5-9-25-16/h5,8-9,13,15H,2-4,6-7,10-12H2,1H3,(H,20,21,23)
InChIKeyQDIUQTVSXWDSMI-UHFFFAOYSA-N
XLogP4.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 42769939
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768
N-(cyclohexylmethyl)-4-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 4523802
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 5184376
2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 813891
3-cyclopentyl-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42771431
3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium
CID 7418057
2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119922868
3,5-dichloro-N-cyclohexyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4291757
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 61233173
N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 42771456
N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 814209

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide (CID 4226698) is N-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide is Cc1csc(NC(=O)CN(CC2CCCCC2)C(=O)Cc2cccs2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?
The InChIKey is QDIUQTVSXWDSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S2/c1-14-13-26-19(20-14)21-17(23)12-22(11-15-6-3-2-4-7-15)18(24)10-16-8-5-9-25-16/h5,8-9,13,15H,2-4,6-7,10-12H2,1H3,(H,20,21,23).
What are the key properties of N-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?
N-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide has a molecular weight of 391.56 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 4226698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).