1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea

C8H11N3O2S — CID 103773337

IUPAC1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
SMILESO=C(NCc1csc(=O)[nH]1)NC1CC1
InChIInChI=1S/C8H11N3O2S/c12-7(10-5-1-2-5)9-3-6-4-14-8(13)11-6/h4-5H,1-3H2,(H,11,13)(H2,9,10,12)
InChIKeyBYPFEADVMQCFOJ-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.40
Rot. Bonds3

About 1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea

1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea (PubChem CID 103773337) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
PubChem CID103773337
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
SMILESO=C(NCc1csc(=O)[nH]1)NC1CC1
InChIInChI=1S/C8H11N3O2S/c12-7(10-5-1-2-5)9-3-6-4-14-8(13)11-6/h4-5H,1-3H2,(H,11,13)(H2,9,10,12)
InChIKeyBYPFEADVMQCFOJ-UHFFFAOYSA-N
XLogP0.40
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea (CID 103773337) is 1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea is O=C(NCc1csc(=O)[nH]1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is BYPFEADVMQCFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-7(10-5-1-2-5)9-3-6-4-14-8(13)11-6/h4-5H,1-3H2,(H,11,13)(H2,9,10,12).
What are the key properties of 1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 213.26 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 103773337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).