2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide

C19H25N5OS — CID 166286451

IUPAC2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCC(C)C(NC(=O)c1sc(CCN)nc1C)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N5OS/c1-4-11(2)16(18-22-13-7-5-6-8-14(13)23-18)24-19(25)17-12(3)21-15(26-17)9-10-20/h5-8,11,16H,4,9-10,20H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyJUFNOEJSSISRFY-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.35
Rot. Bonds7

About 2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 166286451) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID166286451
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCC(C)C(NC(=O)c1sc(CCN)nc1C)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N5OS/c1-4-11(2)16(18-22-13-7-5-6-8-14(13)23-18)24-19(25)17-12(3)21-15(26-17)9-10-20/h5-8,11,16H,4,9-10,20H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyJUFNOEJSSISRFY-UHFFFAOYSA-N
XLogP3.35
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55863434
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 75490678
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide
CID 51960123
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 94613930
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2,3-dichlorobenzamide
CID 55862922
ethyl N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-oxopropyl]carbamate
CID 51087826
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,4-dimethoxybenzamide
CID 55812543
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51088261
N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 51091867
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,3,3-trifluoropropanamide
CID 95155727
N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 124841345

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 166286451) is 2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide is CCC(C)C(NC(=O)c1sc(CCN)nc1C)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JUFNOEJSSISRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-4-11(2)16(18-22-13-7-5-6-8-14(13)23-18)24-19(25)17-12(3)21-15(26-17)9-10-20/h5-8,11,16H,4,9-10,20H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166286451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).