N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C16H27N3OS — CID 46966961

IUPACN-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N(CCN(C)C)C2CCCCC2)cs1
InChIInChI=1S/C16H27N3OS/c1-13-17-14(12-21-13)11-16(20)19(10-9-18(2)3)15-7-5-4-6-8-15/h12,15H,4-11H2,1-3H3
InChIKeyAOKGUKLNPBUCBY-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.72
Rot. Bonds6

About N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 46966961) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID46966961
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N(CCN(C)C)C2CCCCC2)cs1
InChIInChI=1S/C16H27N3OS/c1-13-17-14(12-21-13)11-16(20)19(10-9-18(2)3)15-7-5-4-6-8-15/h12,15H,4-11H2,1-3H3
InChIKeyAOKGUKLNPBUCBY-UHFFFAOYSA-N
XLogP2.72
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 54942911
1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 80602505
ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 54983735
2-(2-amino-1,3-thiazol-4-yl)-N-cyclohexyl-N-ethylacetamide
CID 62797286
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488
2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110125644
2-[(1,1-dioxothiolan-3-yl)-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 60844849
N,N-bis(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60653359
N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide
CID 42191123
N-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 16674175
1-(azepan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116582673

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 46966961) is N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)N(CCN(C)C)C2CCCCC2)cs1.
What is the InChIKey of N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is AOKGUKLNPBUCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-13-17-14(12-21-13)11-16(20)19(10-9-18(2)3)15-7-5-4-6-8-15/h12,15H,4-11H2,1-3H3.
What are the key properties of N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 309.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 46966961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).