1-methyl-3-(1,3-thiazol-4-ylmethyl)urea

C6H9N3OS — CID 23548401

IUPAC1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCNC(=O)NCc1cscn1
InChIInChI=1S/C6H9N3OS/c1-7-6(10)8-2-5-3-11-4-9-5/h3-4H,2H2,1H3,(H2,7,8,10)
InChIKeySFCCDSBOQSAKAF-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.57
Rot. Bonds2

About 1-methyl-3-(1,3-thiazol-4-ylmethyl)urea

1-methyl-3-(1,3-thiazol-4-ylmethyl)urea (PubChem CID 23548401) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is 1-methyl-3-(1,3-thiazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
PubChem CID23548401
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC Name1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCNC(=O)NCc1cscn1
InChIInChI=1S/C6H9N3OS/c1-7-6(10)8-2-5-3-11-4-9-5/h3-4H,2H2,1H3,(H2,7,8,10)
InChIKeySFCCDSBOQSAKAF-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

1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483238
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
2,2,3-trimethyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)butanoic acid
CID 65265568
N-(1,3-thiazol-4-ylmethyl)but-2-enamide
CID 78986565
2-methyl-4-(1,3-thiazol-4-ylmethylcarbamoylamino)butanoic acid
CID 80540931
1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea
CID 111338339
3-methyl-2-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65226370
2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride
CID 119868973
N-(1,3-thiazol-4-ylmethyl)prop-2-enamide
CID 63831538
2-methoxy-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 106110193
N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide
CID 63824471
2-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379989

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,3-thiazol-4-ylmethyl)urea?
The IUPAC name of 1-methyl-3-(1,3-thiazol-4-ylmethyl)urea (CID 23548401) is 1-methyl-3-(1,3-thiazol-4-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-(1,3-thiazol-4-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-(1,3-thiazol-4-ylmethyl)urea is CNC(=O)NCc1cscn1.
What is the InChIKey of 1-methyl-3-(1,3-thiazol-4-ylmethyl)urea?
The InChIKey is SFCCDSBOQSAKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-7-6(10)8-2-5-3-11-4-9-5/h3-4H,2H2,1H3,(H2,7,8,10).
What are the key properties of 1-methyl-3-(1,3-thiazol-4-ylmethyl)urea?
1-methyl-3-(1,3-thiazol-4-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-4-ylmethyl)urea is sourced from PubChem (CID 23548401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).