N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide

C16H23N5OS — CID 95127355

IUPACN-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
SMILESC[C@@H](Cn1ccnc1)NC(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C16H23N5OS/c1-14(10-20-4-3-17-13-20)18-16(22)21-7-5-19(6-8-21)11-15-2-9-23-12-15/h2-4,9,12-14H,5-8,10-11H2,1H3,(H,18,22)/t14-/m0/s1
InChIKeyUQBSUZXDZBSRQJ-AWEZNQCLSA-N
MW333.46 g/mol
LogP1.86
Rot. Bonds5

About N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide

N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 95127355) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
PubChem CID95127355
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
SMILESC[C@@H](Cn1ccnc1)NC(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C16H23N5OS/c1-14(10-20-4-3-17-13-20)18-16(22)21-7-5-19(6-8-21)11-15-2-9-23-12-15/h2-4,9,12-14H,5-8,10-11H2,1H3,(H,18,22)/t14-/m0/s1
InChIKeyUQBSUZXDZBSRQJ-AWEZNQCLSA-N
XLogP1.86
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 95152739
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 94122765
N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide
CID 94122810
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94122779
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 94122773
N-(1-thiophen-3-ylpropan-2-yl)imidazole-1-carboxamide
CID 61477612
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 94179657
(2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 100561408
N'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide
CID 17412335
N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 53499414
4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 79200562

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide (CID 95127355) is N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide is C[C@@H](Cn1ccnc1)NC(=O)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is UQBSUZXDZBSRQJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-14(10-20-4-3-17-13-20)18-16(22)21-7-5-19(6-8-21)11-15-2-9-23-12-15/h2-4,9,12-14H,5-8,10-11H2,1H3,(H,18,22)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 95127355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).