1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea

C15H25N3O2S — CID 71924358

IUPAC1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
SMILESCc1nc(C(C)NC(=O)NCC2CCOC2C(C)C)cs1
InChIInChI=1S/C15H25N3O2S/c1-9(2)14-12(5-6-20-14)7-16-15(19)17-10(3)13-8-21-11(4)18-13/h8-10,12,14H,5-7H2,1-4H3,(H2,16,17,19)
InChIKeyXQTRXGCGNFMZQA-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.87
Rot. Bonds5

About 1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea

1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea (PubChem CID 71924358) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
PubChem CID71924358
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
SMILESCc1nc(C(C)NC(=O)NCC2CCOC2C(C)C)cs1
InChIInChI=1S/C15H25N3O2S/c1-9(2)14-12(5-6-20-14)7-16-15(19)17-10(3)13-8-21-11(4)18-13/h8-10,12,14H,5-7H2,1-4H3,(H2,16,17,19)
InChIKeyXQTRXGCGNFMZQA-UHFFFAOYSA-N
XLogP2.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The IUPAC name of 1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea (CID 71924358) is 1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea.
What is the SMILES notation for 1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The canonical SMILES for 1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea is Cc1nc(C(C)NC(=O)NCC2CCOC2C(C)C)cs1.
What is the InChIKey of 1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The InChIKey is XQTRXGCGNFMZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-9(2)14-12(5-6-20-14)7-16-15(19)17-10(3)13-8-21-11(4)18-13/h8-10,12,14H,5-7H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea has a molecular weight of 311.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea is sourced from PubChem (CID 71924358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).