1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea

C9H15N3OS — CID 103672241

IUPAC1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCCNC(=O)NC(C)(C)c1nccs1
InChIInChI=1S/C9H15N3OS/c1-4-10-8(13)12-9(2,3)7-11-5-6-14-7/h5-6H,4H2,1-3H3,(H2,10,12,13)
InChIKeyLBYZDMUHMVLDRU-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.70
Rot. Bonds3

About 1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea

1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea (PubChem CID 103672241) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
PubChem CID103672241
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCCNC(=O)NC(C)(C)c1nccs1
InChIInChI=1S/C9H15N3OS/c1-4-10-8(13)12-9(2,3)7-11-5-6-14-7/h5-6H,4H2,1-3H3,(H2,10,12,13)
InChIKeyLBYZDMUHMVLDRU-UHFFFAOYSA-N
XLogP1.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 114131819
(2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
CID 114131864
(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 104878243
N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
CID 130748525
1-[2-(2-nitrophenyl)ethyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 71867773
2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 110472120
3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide
CID 114130929
1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea
CID 97095551
2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide
CID 103718140
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
CID 119858712

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
The IUPAC name of 1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea (CID 103672241) is 1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea is CCNC(=O)NC(C)(C)c1nccs1.
What is the InChIKey of 1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
The InChIKey is LBYZDMUHMVLDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-4-10-8(13)12-9(2,3)7-11-5-6-14-7/h5-6H,4H2,1-3H3,(H2,10,12,13).
What are the key properties of 1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea has a molecular weight of 213.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea is sourced from PubChem (CID 103672241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).