4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide

C14H17Br2N3OS — CID 78975141

IUPAC4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H17Br2N3OS/c1-14(2,3)11(7-19-5-4-17-8-19)18-13(20)10-6-9(15)12(16)21-10/h4-6,8,11H,7H2,1-3H3,(H,18,20)
InChIKeyOOTWKTDEFFEVOF-UHFFFAOYSA-N
MW435.19 g/mol
LogP4.31
Rot. Bonds4

About 4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide

4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide (PubChem CID 78975141) has the molecular formula C14H17Br2N3OS and a molecular weight of 435.19 g/mol. Its IUPAC name is 4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide
PubChem CID78975141
Molecular FormulaC14H17Br2N3OS
Molecular Weight435.19 g/mol
Exact Mass432.95
IUPAC Name4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H17Br2N3OS/c1-14(2,3)11(7-19-5-4-17-8-19)18-13(20)10-6-9(15)12(16)21-10/h4-6,8,11H,7H2,1-3H3,(H,18,20)
InChIKeyOOTWKTDEFFEVOF-UHFFFAOYSA-N
XLogP4.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.19
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786820
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CID 75373604
1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 95557386
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 43695409
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 77083723
(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide
CID 61155448
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
4-chloro-3-fluoro-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)benzamide
CID 131909336
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 71887640
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-4-(methoxymethyl)benzamide
CID 95050216
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103028936
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 81075326

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide (CID 78975141) is 4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide is CC(C)(C)C(Cn1ccnc1)NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide?
The InChIKey is OOTWKTDEFFEVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2N3OS/c1-14(2,3)11(7-19-5-4-17-8-19)18-13(20)10-6-9(15)12(16)21-10/h4-6,8,11H,7H2,1-3H3,(H,18,20).
What are the key properties of 4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide has a molecular weight of 435.19 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 78975141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).