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

C16H24N4OS — CID 135105751

IUPACN-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(CCN(C)C)Cc2nc[nH]c2C)s1
InChIInChI=1S/C16H24N4OS/c1-5-13-6-7-15(22-13)16(21)20(9-8-19(3)4)10-14-12(2)17-11-18-14/h6-7,11H,5,8-10H2,1-4H3,(H,17,18)
InChIKeyRLQNVVGHRYVPSH-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.55
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 135105751) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID135105751
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(CCN(C)C)Cc2nc[nH]c2C)s1
InChIInChI=1S/C16H24N4OS/c1-5-13-6-7-15(22-13)16(21)20(9-8-19(3)4)10-14-12(2)17-11-18-14/h6-7,11H,5,8-10H2,1-4H3,(H,17,18)
InChIKeyRLQNVVGHRYVPSH-UHFFFAOYSA-N
XLogP2.55
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-imidazol-4-yl)ethyl]-2-thiophenecarboxamide
CID 6457652
N-[3-(1H-imidazol-1-yl)propyl]-5-methylthiophene-2-carboxamide
CID 13371091
(S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)thiophene-2-carboxamide
CID 17583461
N-[3-(1H-benzimidazol-2-ylamino)propyl]-5-methylthiophene-2-carboxamide
CID 122179115
4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-thienylmethyl)-, dihydrobromide
CID 3054538
2(1H)-Pyridinone, 1-((5-methyl-1H-imidazol-4-yl)methyl)-3-(2-thienyl)-, monohydrochloride
CID 3072541
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-2-ylpyridin-2-one
CID 3072542
N-[2-(1H-imidazol-4-yl)ethyl]-2-(thiophen-2-yl)acetamide
CID 4053681
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylthiophen-2-yl)pyridin-2-one
CID 10039581
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(5-methylthiophen-2-yl)pyridin-2-one
CID 10108006
3-(5-bromothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one
CID 10337922
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpyridin-2-one
CID 10423327

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide (CID 135105751) is N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide is CCc1ccc(C(=O)N(CCN(C)C)Cc2nc[nH]c2C)s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is RLQNVVGHRYVPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-5-13-6-7-15(22-13)16(21)20(9-8-19(3)4)10-14-12(2)17-11-18-14/h6-7,11H,5,8-10H2,1-4H3,(H,17,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 135105751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).