1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(oxolan-2-ylmethyl)urea

C12H19N3O2S — CID 146083939

IUPAC1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(oxolan-2-ylmethyl)urea
SMILESCc1ncc(CN(C)C(=O)NCC2CCCO2)s1
InChIInChI=1S/C12H19N3O2S/c1-9-13-7-11(18-9)8-15(2)12(16)14-6-10-4-3-5-17-10/h7,10H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyAJRVJWZAZVATME-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.77
Rot. Bonds4

About 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(oxolan-2-ylmethyl)urea

1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 146083939) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID146083939
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(oxolan-2-ylmethyl)urea
SMILESCc1ncc(CN(C)C(=O)NCC2CCCO2)s1
InChIInChI=1S/C12H19N3O2S/c1-9-13-7-11(18-9)8-15(2)12(16)14-6-10-4-3-5-17-10/h7,10H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyAJRVJWZAZVATME-UHFFFAOYSA-N
XLogP1.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(oxolan-2-ylmethyl)urea (CID 146083939) is 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(oxolan-2-ylmethyl)urea is Cc1ncc(CN(C)C(=O)NCC2CCCO2)s1.
What is the InChIKey of 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is AJRVJWZAZVATME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-13-7-11(18-9)8-15(2)12(16)14-6-10-4-3-5-17-10/h7,10H,3-6,8H2,1-2H3,(H,14,16).
What are the key properties of 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(oxolan-2-ylmethyl)urea?
1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 269.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 146083939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).