1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea

C14H22N4O2S — CID 128988869

IUPAC1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NCC1CCCS1
InChIInChI=1S/C14H22N4O2S/c1-18-6-5-15-13(18)12-11(4-7-20-12)17-14(19)16-9-10-3-2-8-21-10/h5-6,10-12H,2-4,7-9H2,1H3,(H2,16,17,19)/t10?,11-,12-/m0/s1
InChIKeyLVNDGSPREKAVFO-RAMGSTBQSA-N
MW310.42 g/mol
LogP1.44
Rot. Bonds4

About 1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea

1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea (PubChem CID 128988869) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea
PubChem CID128988869
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NCC1CCCS1
InChIInChI=1S/C14H22N4O2S/c1-18-6-5-15-13(18)12-11(4-7-20-12)17-14(19)16-9-10-3-2-8-21-10/h5-6,10-12H,2-4,7-9H2,1H3,(H2,16,17,19)/t10?,11-,12-/m0/s1
InChIKeyLVNDGSPREKAVFO-RAMGSTBQSA-N
XLogP1.44
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 128977421
1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 129475001
4-methyl-3-(1-methylimidazol-2-yl)-N-(thiolan-2-ylmethyl)piperazine-1-carboxamide
CID 128998938
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 129474958
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxane-2-carboxamide
CID 128970459
1-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-[[(2S)-thiolan-2-yl]methyl]urea
CID 129332840
cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 129330273
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide
CID 129000954
(2S,5R)-5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxolane-2-carboxamide
CID 129333968
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide
CID 128989683
1-cyclopropyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrrole-2-carboxamide
CID 128968417
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea?
The IUPAC name of 1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea (CID 128988869) is 1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea?
The canonical SMILES for 1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea is Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NCC1CCCS1.
What is the InChIKey of 1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea?
The InChIKey is LVNDGSPREKAVFO-RAMGSTBQSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-18-6-5-15-13(18)12-11(4-7-20-12)17-14(19)16-9-10-3-2-8-21-10/h5-6,10-12H,2-4,7-9H2,1H3,(H2,16,17,19)/t10?,11-,12-/m0/s1.
What are the key properties of 1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea?
1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea has a molecular weight of 310.42 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea is sourced from PubChem (CID 128988869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).