2-(1,3-thiazol-2-ylmethylamino)ethylurea

C7H12N4OS — CID 83110656

IUPAC2-(1,3-thiazol-2-ylmethylamino)ethylurea
SMILESNC(=O)NCCNCc1nccs1
InChIInChI=1S/C7H12N4OS/c8-7(12)11-2-1-9-5-6-10-3-4-13-6/h3-4,9H,1-2,5H2,(H3,8,11,12)
InChIKeyQGVIPTWWDNONEI-UHFFFAOYSA-N
MW200.27 g/mol
LogP-0.10
Rot. Bonds5

About 2-(1,3-thiazol-2-ylmethylamino)ethylurea

2-(1,3-thiazol-2-ylmethylamino)ethylurea (PubChem CID 83110656) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylmethylamino)ethylurea.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylmethylamino)ethylurea
PubChem CID83110656
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name2-(1,3-thiazol-2-ylmethylamino)ethylurea
SMILESNC(=O)NCCNCc1nccs1
InChIInChI=1S/C7H12N4OS/c8-7(12)11-2-1-9-5-6-10-3-4-13-6/h3-4,9H,1-2,5H2,(H3,8,11,12)
InChIKeyQGVIPTWWDNONEI-UHFFFAOYSA-N
XLogP-0.10
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
CID 107302916
2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61283283
N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide
CID 115615772
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
methyl 2-(1,3-thiazol-2-ylmethylamino)acetate
CID 61286040
3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61284856
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide
CID 61284261
2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol
CID 61283861
N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide
CID 63002028
5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 107320464

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylmethylamino)ethylurea?
The IUPAC name of 2-(1,3-thiazol-2-ylmethylamino)ethylurea (CID 83110656) is 2-(1,3-thiazol-2-ylmethylamino)ethylurea.
What is the SMILES notation for 2-(1,3-thiazol-2-ylmethylamino)ethylurea?
The canonical SMILES for 2-(1,3-thiazol-2-ylmethylamino)ethylurea is NC(=O)NCCNCc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-ylmethylamino)ethylurea?
The InChIKey is QGVIPTWWDNONEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c8-7(12)11-2-1-9-5-6-10-3-4-13-6/h3-4,9H,1-2,5H2,(H3,8,11,12).
What are the key properties of 2-(1,3-thiazol-2-ylmethylamino)ethylurea?
2-(1,3-thiazol-2-ylmethylamino)ethylurea has a molecular weight of 200.27 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylmethylamino)ethylurea is sourced from PubChem (CID 83110656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).