N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide

C15H22N4OS — CID 135098097

IUPACN-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(CCN(C)C)Cc1nc[nH]c1C
InChIInChI=1S/C15H22N4OS/c1-11-5-8-21-14(11)15(20)19(7-6-18(3)4)9-13-12(2)16-10-17-13/h5,8,10H,6-7,9H2,1-4H3,(H,16,17)
InChIKeyUFNXLXZCLGMBFU-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.29
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide

N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 135098097) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID135098097
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(CCN(C)C)Cc1nc[nH]c1C
InChIInChI=1S/C15H22N4OS/c1-11-5-8-21-14(11)15(20)19(7-6-18(3)4)9-13-12(2)16-10-17-13/h5,8,10H,6-7,9H2,1-4H3,(H,16,17)
InChIKeyUFNXLXZCLGMBFU-UHFFFAOYSA-N
XLogP2.29
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
CID 135105751
N-[2-(dimethylamino)ethyl]-4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
CID 135120852
N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
CID 135112310
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-phenylpropanamide
CID 135103279
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
CID 135097741
N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 135101772
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(2-phenylethoxy)benzamide
CID 135101944
N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 46994975
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide
CID 135087620
N-[2-(dimethylamino)ethyl]-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 135099471
4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
CID 135092744
N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 135119559

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide (CID 135098097) is N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)N(CCN(C)C)Cc1nc[nH]c1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is UFNXLXZCLGMBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-11-5-8-21-14(11)15(20)19(7-6-18(3)4)9-13-12(2)16-10-17-13/h5,8,10H,6-7,9H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide?
N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 135098097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).