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

C19H24N6OS — CID 28698360

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCn1cc(CN2CCC[C@H]2c2ccc(C(=O)NCCc3cnc[nH]3)s2)cn1
InChIInChI=1S/C19H24N6OS/c1-24-11-14(9-23-24)12-25-8-2-3-16(25)17-4-5-18(27-17)19(26)21-7-6-15-10-20-13-22-15/h4-5,9-11,13,16H,2-3,6-8,12H2,1H3,(H,20,22)(H,21,26)/t16-/m0/s1
InChIKeyWSMZAOMPCRAUFD-INIZCTEOSA-N
MW384.51 g/mol
LogP2.51
Rot. Bonds7

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

N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 28698360) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID28698360
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCn1cc(CN2CCC[C@H]2c2ccc(C(=O)NCCc3cnc[nH]3)s2)cn1
InChIInChI=1S/C19H24N6OS/c1-24-11-14(9-23-24)12-25-8-2-3-16(25)17-4-5-18(27-17)19(26)21-7-6-15-10-20-13-22-15/h4-5,9-11,13,16H,2-3,6-8,12H2,1H3,(H,20,22)(H,21,26)/t16-/m0/s1
InChIKeyWSMZAOMPCRAUFD-INIZCTEOSA-N
XLogP2.51
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2R)-1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 30854184
5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
CID 45206718
5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
CID 45245622
5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide
CID 45199086
5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 45192185
5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide
CID 29027435
N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide
CID 110261221
5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide
CID 45227389
N-[2-(1H-imidazol-5-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 50982303
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94120791
N,1-dimethyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129337137
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 47445429

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 28698360) is N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide is Cn1cc(CN2CCC[C@H]2c2ccc(C(=O)NCCc3cnc[nH]3)s2)cn1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is WSMZAOMPCRAUFD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-24-11-14(9-23-24)12-25-8-2-3-16(25)17-4-5-18(27-17)19(26)21-7-6-15-10-20-13-22-15/h4-5,9-11,13,16H,2-3,6-8,12H2,1H3,(H,20,22)(H,21,26)/t16-/m0/s1.
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 28698360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).