N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide

C17H20N4OS2 — CID 110222036

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)NC(Cc2ccsc2)c2nc(C)c(C)s2)c1
InChIInChI=1S/C17H20N4OS2/c1-11-7-18-21(8-11)9-16(22)20-15(6-14-4-5-23-10-14)17-19-12(2)13(3)24-17/h4-5,7-8,10,15H,6,9H2,1-3H3,(H,20,22)
InChIKeyGGEIKLWVQLTCLY-UHFFFAOYSA-N
MW360.51 g/mol
LogP3.43
Rot. Bonds6

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 110222036) has the molecular formula C17H20N4OS2 and a molecular weight of 360.51 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID110222036
Molecular FormulaC17H20N4OS2
Molecular Weight360.51 g/mol
Exact Mass360.11
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)NC(Cc2ccsc2)c2nc(C)c(C)s2)c1
InChIInChI=1S/C17H20N4OS2/c1-11-7-18-21(8-11)9-16(22)20-15(6-14-4-5-23-10-14)17-19-12(2)13(3)24-17/h4-5,7-8,10,15H,6,9H2,1-3H3,(H,20,22)
InChIKeyGGEIKLWVQLTCLY-UHFFFAOYSA-N
XLogP3.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide
CID 92589855
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1,2-oxazol-5-yl)propanamide
CID 92597569
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide
CID 46955492
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110222003
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide
CID 95802527
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide
CID 92597605
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 110221989
2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide
CID 110222101
(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 92597640
N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92562309
(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 92597615
4-methyl-1-(2-thiophen-3-ylethyl)pyrazole
CID 130610558

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide (CID 110222036) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)NC(Cc2ccsc2)c2nc(C)c(C)s2)c1.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is GGEIKLWVQLTCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS2/c1-11-7-18-21(8-11)9-16(22)20-15(6-14-4-5-23-10-14)17-19-12(2)13(3)24-17/h4-5,7-8,10,15H,6,9H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 360.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 110222036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).