1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea

C15H25N3O2S — CID 97340824

IUPAC1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea
SMILESCc1cnc(CCNC(=O)N[C@H]2CC(C)(C)OC2(C)C)s1
InChIInChI=1S/C15H25N3O2S/c1-10-9-17-12(21-10)6-7-16-13(19)18-11-8-14(2,3)20-15(11,4)5/h9,11H,6-8H2,1-5H3,(H2,16,18,19)/t11-/m0/s1
InChIKeyVXPDZGPUPKXCMV-NSHDSACASA-N
MW311.45 g/mol
LogP2.64
Rot. Bonds4

About 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea

1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea (PubChem CID 97340824) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea.

Molecular Properties

Compound Name1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea
PubChem CID97340824
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea
SMILESCc1cnc(CCNC(=O)N[C@H]2CC(C)(C)OC2(C)C)s1
InChIInChI=1S/C15H25N3O2S/c1-10-9-17-12(21-10)6-7-16-13(19)18-11-8-14(2,3)20-15(11,4)5/h9,11H,6-8H2,1-5H3,(H2,16,18,19)/t11-/m0/s1
InChIKeyVXPDZGPUPKXCMV-NSHDSACASA-N
XLogP2.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea with MolForge

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Related Compounds

1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
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1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
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2-(5-methyl-1,3-thiazol-2-yl)ethylurea
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CID 111507774
1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea
CID 75518600
1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 91649459
1-[2-(4-hydroxyphenyl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
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CID 110746479
1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71867996
2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea?
The IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea (CID 97340824) is 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea.
What is the SMILES notation for 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea?
The canonical SMILES for 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea is Cc1cnc(CCNC(=O)N[C@H]2CC(C)(C)OC2(C)C)s1.
What is the InChIKey of 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea?
The InChIKey is VXPDZGPUPKXCMV-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10-9-17-12(21-10)6-7-16-13(19)18-11-8-14(2,3)20-15(11,4)5/h9,11H,6-8H2,1-5H3,(H2,16,18,19)/t11-/m0/s1.
What are the key properties of 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea?
1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea has a molecular weight of 311.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea is sourced from PubChem (CID 97340824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).