1-methyl-3-(1,3-thiazol-2-ylmethyl)urea

C6H9N3OS — CID 23548411

IUPAC1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
SMILESCNC(=O)NCc1nccs1
InChIInChI=1S/C6H9N3OS/c1-7-6(10)9-4-5-8-2-3-11-5/h2-3H,4H2,1H3,(H2,7,9,10)
InChIKeyRMQDESDSPTUSBM-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.57
Rot. Bonds2

About 1-methyl-3-(1,3-thiazol-2-ylmethyl)urea

1-methyl-3-(1,3-thiazol-2-ylmethyl)urea (PubChem CID 23548411) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is 1-methyl-3-(1,3-thiazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
PubChem CID23548411
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC Name1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
SMILESCNC(=O)NCc1nccs1
InChIInChI=1S/C6H9N3OS/c1-7-6(10)9-4-5-8-2-3-11-5/h2-3H,4H2,1H3,(H2,7,9,10)
InChIKeyRMQDESDSPTUSBM-UHFFFAOYSA-N
XLogP0.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide
CID 130634316
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110511
(2S)-3-methyl-2-(1,3-thiazol-2-ylmethylcarbamoylamino)butanoic acid
CID 54963020
4-methyl-2-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 63629709
N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 67124836
1-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446587
5-(1,3-thiazol-2-ylmethylcarbamoylamino)hexanoic acid
CID 82848501
3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61284856
3-bromo-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110922
1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 54962816
(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,3-thiazol-2-ylmethyl)urea?
The IUPAC name of 1-methyl-3-(1,3-thiazol-2-ylmethyl)urea (CID 23548411) is 1-methyl-3-(1,3-thiazol-2-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-(1,3-thiazol-2-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-(1,3-thiazol-2-ylmethyl)urea is CNC(=O)NCc1nccs1.
What is the InChIKey of 1-methyl-3-(1,3-thiazol-2-ylmethyl)urea?
The InChIKey is RMQDESDSPTUSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-7-6(10)9-4-5-8-2-3-11-5/h2-3H,4H2,1H3,(H2,7,9,10).
What are the key properties of 1-methyl-3-(1,3-thiazol-2-ylmethyl)urea?
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea has a molecular weight of 171.23 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,3-thiazol-2-ylmethyl)urea is sourced from PubChem (CID 23548411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).