N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide

C17H25N5OS — CID 94122765

IUPACN-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
SMILESC[C@H](Cn1ccnc1)NC(=O)N1CCCN(Cc2cccs2)CC1
InChIInChI=1S/C17H25N5OS/c1-15(12-21-8-5-18-14-21)19-17(23)22-7-3-6-20(9-10-22)13-16-4-2-11-24-16/h2,4-5,8,11,14-15H,3,6-7,9-10,12-13H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyPRNPSXJMNXWWPK-OAHLLOKOSA-N
MW347.49 g/mol
LogP2.25
Rot. Bonds5

About N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide

N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide (PubChem CID 94122765) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
PubChem CID94122765
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
SMILESC[C@H](Cn1ccnc1)NC(=O)N1CCCN(Cc2cccs2)CC1
InChIInChI=1S/C17H25N5OS/c1-15(12-21-8-5-18-14-21)19-17(23)22-7-3-6-20(9-10-22)13-16-4-2-11-24-16/h2,4-5,8,11,14-15H,3,6-7,9-10,12-13H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyPRNPSXJMNXWWPK-OAHLLOKOSA-N
XLogP2.25
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 95152739
N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 95127355
N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185587
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94122779
N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 134001749
(2S)-2-amino-3-methyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 61164699
N-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 38275398
3-chloro-2-methyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 62727225
2-(propan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671249
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 94122773
N-[(2R)-1-pyrazol-1-ylpropan-2-yl]azetidine-1-carboxamide
CID 94031085
1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]but-2-en-1-one
CID 112727360

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide (CID 94122765) is N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide is C[C@H](Cn1ccnc1)NC(=O)N1CCCN(Cc2cccs2)CC1.
What is the InChIKey of N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide?
The InChIKey is PRNPSXJMNXWWPK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-15(12-21-8-5-18-14-21)19-17(23)22-7-3-6-20(9-10-22)13-16-4-2-11-24-16/h2,4-5,8,11,14-15H,3,6-7,9-10,12-13H2,1H3,(H,19,23)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide?
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 94122765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).