N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide

C14H19N3OS — CID 166250263

IUPACN-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCc2ccc(C(C)(C)C)s2)c1
InChIInChI=1S/C14H19N3OS/c1-14(2,3)12-6-5-10(19-12)7-15-13(18)11-8-17(4)9-16-11/h5-6,8-9H,7H2,1-4H3,(H,15,18)
InChIKeyZRNZTLFJSOTOGK-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.71
Rot. Bonds3

About N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide

N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide (PubChem CID 166250263) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide
PubChem CID166250263
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCc2ccc(C(C)(C)C)s2)c1
InChIInChI=1S/C14H19N3OS/c1-14(2,3)12-6-5-10(19-12)7-15-13(18)11-8-17(4)9-16-11/h5-6,8-9H,7H2,1-4H3,(H,15,18)
InChIKeyZRNZTLFJSOTOGK-UHFFFAOYSA-N
XLogP2.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazole-4-carboxamide
CID 107975187
N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide
CID 103859682
N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide
CID 166407428
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide
CID 81495461
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide
CID 103860044
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide
CID 118907265
N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide
CID 107973596
N-[(3-carbamothioylphenyl)methyl]-1-methylimidazole-4-carboxamide
CID 107972207
5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110203
N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylpyrazol-4-amine
CID 81499024
N-(3-bromo-2-methylbutan-2-yl)-1-methylimidazole-4-carboxamide
CID 107975347

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide (CID 166250263) is N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)NCc2ccc(C(C)(C)C)s2)c1.
What is the InChIKey of N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide?
The InChIKey is ZRNZTLFJSOTOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-14(2,3)12-6-5-10(19-12)7-15-13(18)11-8-17(4)9-16-11/h5-6,8-9H,7H2,1-4H3,(H,15,18).
What are the key properties of N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide?
N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 166250263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).