N-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide

C14H21N3O3S2 — CID 122145804

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1nc(C2CC3CCC2C3)cs1)S(C)(=O)=O
InChIInChI=1S/C14H21N3O3S2/c1-17(22(2,19)20)7-13(18)16-14-15-12(8-21-14)11-6-9-3-4-10(11)5-9/h8-11H,3-7H2,1-2H3,(H,15,16,18)
InChIKeyVTYFJILCLSSZDY-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.88
Rot. Bonds5

About N-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 122145804) has the molecular formula C14H21N3O3S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID122145804
Molecular FormulaC14H21N3O3S2
Molecular Weight343.47 g/mol
Exact Mass343.10
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1nc(C2CC3CCC2C3)cs1)S(C)(=O)=O
InChIInChI=1S/C14H21N3O3S2/c1-17(22(2,19)20)7-13(18)16-14-15-12(8-21-14)11-6-9-3-4-10(11)5-9/h8-11H,3-7H2,1-2H3,(H,15,16,18)
InChIKeyVTYFJILCLSSZDY-UHFFFAOYSA-N
XLogP1.88
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 125138603
3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea
CID 122150546
N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide
CID 129344834
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605284
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
CID 18127329
(1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98277438
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 11919388
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 18556899
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]acetamide
CID 64545243
(1S,2R,4S)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 7102759
N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 51113796
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 122145804) is N-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide is CN(CC(=O)Nc1nc(C2CC3CCC2C3)cs1)S(C)(=O)=O.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is VTYFJILCLSSZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S2/c1-17(22(2,19)20)7-13(18)16-14-15-12(8-21-14)11-6-9-3-4-10(11)5-9/h8-11H,3-7H2,1-2H3,(H,15,16,18).
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 343.47 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 122145804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).