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

C8H13N3OS — CID 115579398

IUPAC1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCNC(=O)NCCc1nc(C)cs1
InChIInChI=1S/C8H13N3OS/c1-6-5-13-7(11-6)3-4-10-8(12)9-2/h5H,3-4H2,1-2H3,(H2,9,10,12)
InChIKeyPYCYMXSIYGHBDQ-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.92
Rot. Bonds3

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

1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 115579398) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID115579398
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCNC(=O)NCCc1nc(C)cs1
InChIInChI=1S/C8H13N3OS/c1-6-5-13-7(11-6)3-4-10-8(12)9-2/h5H,3-4H2,1-2H3,(H2,9,10,12)
InChIKeyPYCYMXSIYGHBDQ-UHFFFAOYSA-N
XLogP0.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
1-[(2R)-3-methylbutan-2-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 94151930
2-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 63241165
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 39071901
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63240888
2-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 80540928
(2R)-2-amino-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 95035833
1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 39072001
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
2-amino-2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 79813428
2-methoxy-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 114144694
3-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]pentanoic acid
CID 63241161

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 115579398) is 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is CNC(=O)NCCc1nc(C)cs1.
What is the InChIKey of 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is PYCYMXSIYGHBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6-5-13-7(11-6)3-4-10-8(12)9-2/h5H,3-4H2,1-2H3,(H2,9,10,12).
What are the key properties of 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 199.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 115579398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).