1-(1,3-thiazol-2-yl)pentan-2-ylurea

C9H15N3OS — CID 70014153

IUPAC1-(1,3-thiazol-2-yl)pentan-2-ylurea
SMILESCCCC(Cc1nccs1)NC(N)=O
InChIInChI=1S/C9H15N3OS/c1-2-3-7(12-9(10)13)6-8-11-4-5-14-8/h4-5,7H,2-3,6H2,1H3,(H3,10,12,13)
InChIKeyGOFQYDJLAMMJSI-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.52
Rot. Bonds5

About 1-(1,3-thiazol-2-yl)pentan-2-ylurea

1-(1,3-thiazol-2-yl)pentan-2-ylurea (PubChem CID 70014153) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)pentan-2-ylurea.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)pentan-2-ylurea
PubChem CID70014153
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-(1,3-thiazol-2-yl)pentan-2-ylurea
SMILESCCCC(Cc1nccs1)NC(N)=O
InChIInChI=1S/C9H15N3OS/c1-2-3-7(12-9(10)13)6-8-11-4-5-14-8/h4-5,7H,2-3,6H2,1H3,(H3,10,12,13)
InChIKeyGOFQYDJLAMMJSI-UHFFFAOYSA-N
XLogP1.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)pentan-2-ylurea?
The IUPAC name of 1-(1,3-thiazol-2-yl)pentan-2-ylurea (CID 70014153) is 1-(1,3-thiazol-2-yl)pentan-2-ylurea.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)pentan-2-ylurea?
The canonical SMILES for 1-(1,3-thiazol-2-yl)pentan-2-ylurea is CCCC(Cc1nccs1)NC(N)=O.
What is the InChIKey of 1-(1,3-thiazol-2-yl)pentan-2-ylurea?
The InChIKey is GOFQYDJLAMMJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-3-7(12-9(10)13)6-8-11-4-5-14-8/h4-5,7H,2-3,6H2,1H3,(H3,10,12,13).
What are the key properties of 1-(1,3-thiazol-2-yl)pentan-2-ylurea?
1-(1,3-thiazol-2-yl)pentan-2-ylurea has a molecular weight of 213.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)pentan-2-ylurea is sourced from PubChem (CID 70014153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).