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

C17H20N4OS2 — CID 46955492

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide
SMILESCc1nc(C(Cc2ccsc2)NC(=O)CCn2ccnc2)sc1C
InChIInChI=1S/C17H20N4OS2/c1-12-13(2)24-17(19-12)15(9-14-4-8-23-10-14)20-16(22)3-6-21-7-5-18-11-21/h4-5,7-8,10-11,15H,3,6,9H2,1-2H3,(H,20,22)
InChIKeyBVJFSVBMRDNCSW-UHFFFAOYSA-N
MW360.51 g/mol
LogP3.51
Rot. Bonds7

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

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide (PubChem CID 46955492) 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]-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide
PubChem CID46955492
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]-3-imidazol-1-ylpropanamide
SMILESCc1nc(C(Cc2ccsc2)NC(=O)CCn2ccnc2)sc1C
InChIInChI=1S/C17H20N4OS2/c1-12-13(2)24-17(19-12)15(9-14-4-8-23-10-14)20-16(22)3-6-21-7-5-18-11-21/h4-5,7-8,10-11,15H,3,6,9H2,1-2H3,(H,20,22)
InChIKeyBVJFSVBMRDNCSW-UHFFFAOYSA-N
XLogP3.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(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-[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
2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide
CID 110222226
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide
CID 92597605
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide
CID 46955487
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 110221989
N-(1-thiophen-3-ylpropan-2-yl)imidazole-1-carboxamide
CID 61477612
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide
CID 102673648
(3R)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-pyrazol-1-ylbutanamide
CID 92563878
(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 92597615

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide (CID 46955492) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide is Cc1nc(C(Cc2ccsc2)NC(=O)CCn2ccnc2)sc1C.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide?
The InChIKey is BVJFSVBMRDNCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS2/c1-12-13(2)24-17(19-12)15(9-14-4-8-23-10-14)20-16(22)3-6-21-7-5-18-11-21/h4-5,7-8,10-11,15H,3,6,9H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide has a molecular weight of 360.51 g/mol, XLogP of 3.51, 7 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]-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 46955492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).