3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea

C10H18N4OS — CID 79153399

IUPAC3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea
SMILESCCNC(C)c1csc(NC(=O)N(C)C)n1
InChIInChI=1S/C10H18N4OS/c1-5-11-7(2)8-6-16-9(12-8)13-10(15)14(3)4/h6-7,11H,5H2,1-4H3,(H,12,13,15)
InChIKeyKVBJCDLRYBDSDB-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.91
Rot. Bonds4

About 3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea

3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea (PubChem CID 79153399) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea
PubChem CID79153399
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea
SMILESCCNC(C)c1csc(NC(=O)N(C)C)n1
InChIInChI=1S/C10H18N4OS/c1-5-11-7(2)8-6-16-9(12-8)13-10(15)14(3)4/h6-7,11H,5H2,1-4H3,(H,12,13,15)
InChIKeyKVBJCDLRYBDSDB-UHFFFAOYSA-N
XLogP1.91
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64555493
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 64557469
3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64557080
2-chloro-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64555687
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 64558061
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-propoxypropanamide
CID 64556081
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 65151630
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 64555885
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 104670033
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 64558266
4-[1-(ethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 64542711
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 64556677

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea?
The IUPAC name of 3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea (CID 79153399) is 3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea is CCNC(C)c1csc(NC(=O)N(C)C)n1.
What is the InChIKey of 3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea?
The InChIKey is KVBJCDLRYBDSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-5-11-7(2)8-6-16-9(12-8)13-10(15)14(3)4/h6-7,11H,5H2,1-4H3,(H,12,13,15).
What are the key properties of 3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea?
3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea has a molecular weight of 242.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea is sourced from PubChem (CID 79153399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).