1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea

C13H21N3O2S — CID 95617014

IUPAC1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCc1nc(C)c(CCNC(=O)NC[C@H]2CCOC2)s1
InChIInChI=1S/C13H21N3O2S/c1-9-12(19-10(2)16-9)3-5-14-13(17)15-7-11-4-6-18-8-11/h11H,3-8H2,1-2H3,(H2,14,15,17)/t11-/m1/s1
InChIKeySRLRJKACHFMFFE-LLVKDONJSA-N
MW283.40 g/mol
LogP1.64
Rot. Bonds5

About 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea

1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea (PubChem CID 95617014) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
PubChem CID95617014
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCc1nc(C)c(CCNC(=O)NC[C@H]2CCOC2)s1
InChIInChI=1S/C13H21N3O2S/c1-9-12(19-10(2)16-9)3-5-14-13(17)15-7-11-4-6-18-8-11/h11H,3-8H2,1-2H3,(H2,14,15,17)/t11-/m1/s1
InChIKeySRLRJKACHFMFFE-LLVKDONJSA-N
XLogP1.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea (CID 95617014) is 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea is Cc1nc(C)c(CCNC(=O)NC[C@H]2CCOC2)s1.
What is the InChIKey of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea?
The InChIKey is SRLRJKACHFMFFE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-12(19-10(2)16-9)3-5-14-13(17)15-7-11-4-6-18-8-11/h11H,3-8H2,1-2H3,(H2,14,15,17)/t11-/m1/s1.
What are the key properties of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea?
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea has a molecular weight of 283.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 95617014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).