3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea

C8H11N3O2S — CID 79153632

IUPAC3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea
SMILESCC(=O)c1csc(NC(=O)N(C)C)n1
InChIInChI=1S/C8H11N3O2S/c1-5(12)6-4-14-7(9-6)10-8(13)11(2)3/h4H,1-3H3,(H,9,10,13)
InChIKeyVQPCUQWIHZZLRU-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.44
Rot. Bonds2

About 3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea

3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea (PubChem CID 79153632) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea
PubChem CID79153632
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea
SMILESCC(=O)c1csc(NC(=O)N(C)C)n1
InChIInChI=1S/C8H11N3O2S/c1-5(12)6-4-14-7(9-6)10-8(13)11(2)3/h4H,1-3H3,(H,9,10,13)
InChIKeyVQPCUQWIHZZLRU-UHFFFAOYSA-N
XLogP1.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86998010
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide
CID 64557492
N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide
CID 131020021
(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide
CID 64557720
N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide
CID 115532303
N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide
CID 64556718
2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570013
N-(4-acetyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 47350440
N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 64557705
3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153497

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea?
The IUPAC name of 3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea (CID 79153632) is 3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea is CC(=O)c1csc(NC(=O)N(C)C)n1.
What is the InChIKey of 3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea?
The InChIKey is VQPCUQWIHZZLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-5(12)6-4-14-7(9-6)10-8(13)11(2)3/h4H,1-3H3,(H,9,10,13).
What are the key properties of 3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea?
3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea has a molecular weight of 213.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea is sourced from PubChem (CID 79153632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).