1-(cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea

C12H19N3OS — CID 56787657

IUPAC1-(cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCN(CC1CCC1)C(=O)NCCc1nccs1
InChIInChI=1S/C12H19N3OS/c1-15(9-10-3-2-4-10)12(16)14-6-5-11-13-7-8-17-11/h7-8,10H,2-6,9H2,1H3,(H,14,16)
InChIKeyHCPXIMZXYNXMRX-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.13
Rot. Bonds5

About 1-(cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea

1-(cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 56787657) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID56787657
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-(cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCN(CC1CCC1)C(=O)NCCc1nccs1
InChIInChI=1S/C12H19N3OS/c1-15(9-10-3-2-4-10)12(16)14-6-5-11-13-7-8-17-11/h7-8,10H,2-6,9H2,1H3,(H,14,16)
InChIKeyHCPXIMZXYNXMRX-UHFFFAOYSA-N
XLogP2.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea (CID 56787657) is 1-(cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea is CN(CC1CCC1)C(=O)NCCc1nccs1.
What is the InChIKey of 1-(cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is HCPXIMZXYNXMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-15(9-10-3-2-4-10)12(16)14-6-5-11-13-7-8-17-11/h7-8,10H,2-6,9H2,1H3,(H,14,16).
What are the key properties of 1-(cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
1-(cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 253.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-1-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 56787657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).