1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea

C14H17ClN4O2S — CID 129475840

IUPAC1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)Nc1ccsc1Cl
InChIInChI=1S/C14H17ClN4O2S/c1-19-11(2-5-17-19)12-9(3-6-21-12)8-16-14(20)18-10-4-7-22-13(10)15/h2,4-5,7,9,12H,3,6,8H2,1H3,(H2,16,18,20)/t9-,12+/m0/s1
InChIKeyRAJUUFLTHDCCEM-JOYOIKCWSA-N
MW340.84 g/mol
LogP3.03
Rot. Bonds4

About 1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea

1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea (PubChem CID 129475840) has the molecular formula C14H17ClN4O2S and a molecular weight of 340.84 g/mol. Its IUPAC name is 1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea
PubChem CID129475840
Molecular FormulaC14H17ClN4O2S
Molecular Weight340.84 g/mol
Exact Mass340.08
IUPAC Name1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)Nc1ccsc1Cl
InChIInChI=1S/C14H17ClN4O2S/c1-19-11(2-5-17-19)12-9(3-6-21-12)8-16-14(20)18-10-4-7-22-13(10)15/h2,4-5,7,9,12H,3,6,8H2,1H3,(H2,16,18,20)/t9-,12+/m0/s1
InChIKeyRAJUUFLTHDCCEM-JOYOIKCWSA-N
XLogP3.03
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea with MolForge

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Related Compounds

2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide
CID 127969351
1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 127965178
1,2-dimethyl-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]guanidine
CID 120965775
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanol
CID 130949666
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethenesulfonamide
CID 167933645
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 100641729
(2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine
CID 129339482
1-(azepan-1-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]butan-1-one
CID 128972283
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide
CID 129000954
1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea
CID 131961800
5-bromo-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 128992017
1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 128976235

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea?
The IUPAC name of 1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea (CID 129475840) is 1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea is Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)Nc1ccsc1Cl.
What is the InChIKey of 1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea?
The InChIKey is RAJUUFLTHDCCEM-JOYOIKCWSA-N. The full InChI is InChI=1S/C14H17ClN4O2S/c1-19-11(2-5-17-19)12-9(3-6-21-12)8-16-14(20)18-10-4-7-22-13(10)15/h2,4-5,7,9,12H,3,6,8H2,1H3,(H2,16,18,20)/t9-,12+/m0/s1.
What are the key properties of 1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea?
1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea has a molecular weight of 340.84 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea is sourced from PubChem (CID 129475840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).