1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea

C15H23N5OS — CID 94179657

IUPAC1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1ccnc1)NC(=O)NC[C@H](c1ccsc1)N(C)C
InChIInChI=1S/C15H23N5OS/c1-12(9-20-6-5-16-11-20)18-15(21)17-8-14(19(2)3)13-4-7-22-10-13/h4-7,10-12,14H,8-9H2,1-3H3,(H2,17,18,21)/t12-,14-/m1/s1
InChIKeyLXMRKXXXZJFOCU-TZMCWYRMSA-N
MW321.45 g/mol
LogP1.94
Rot. Bonds7

About 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea

1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea (PubChem CID 94179657) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
PubChem CID94179657
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1ccnc1)NC(=O)NC[C@H](c1ccsc1)N(C)C
InChIInChI=1S/C15H23N5OS/c1-12(9-20-6-5-16-11-20)18-15(21)17-8-14(19(2)3)13-4-7-22-10-13/h4-7,10-12,14H,8-9H2,1-3H3,(H2,17,18,21)/t12-,14-/m1/s1
InChIKeyLXMRKXXXZJFOCU-TZMCWYRMSA-N
XLogP1.94
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 94871793
1-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 95135852
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide
CID 43060727
N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 95127355
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709
1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea
CID 94027034
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide
CID 94021120
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 111440930
4-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957773
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea (CID 94179657) is 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea is C[C@H](Cn1ccnc1)NC(=O)NC[C@H](c1ccsc1)N(C)C.
What is the InChIKey of 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
The InChIKey is LXMRKXXXZJFOCU-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-12(9-20-6-5-16-11-20)18-15(21)17-8-14(19(2)3)13-4-7-22-10-13/h4-7,10-12,14H,8-9H2,1-3H3,(H2,17,18,21)/t12-,14-/m1/s1.
What are the key properties of 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea has a molecular weight of 321.45 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 94179657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).