1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea

C12H16N4OS2 — CID 154840949

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea
SMILESCCc1cnc(NC(=O)NCc2nc(C)c(C)s2)s1
InChIInChI=1S/C12H16N4OS2/c1-4-9-5-14-12(19-9)16-11(17)13-6-10-15-7(2)8(3)18-10/h5H,4,6H2,1-3H3,(H2,13,14,16,17)
InChIKeyROGUKNKXZSVOGI-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.10
Rot. Bonds4

About 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea (PubChem CID 154840949) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea
PubChem CID154840949
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea
SMILESCCc1cnc(NC(=O)NCc2nc(C)c(C)s2)s1
InChIInChI=1S/C12H16N4OS2/c1-4-9-5-14-12(19-9)16-11(17)13-6-10-15-7(2)8(3)18-10/h5H,4,6H2,1-3H3,(H2,13,14,16,17)
InChIKeyROGUKNKXZSVOGI-UHFFFAOYSA-N
XLogP3.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
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1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea
CID 155950948
N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
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1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 71867529
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CID 71870299
4-[[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoylamino]methyl]benzoic acid
CID 122004521
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CID 119307130
ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate
CID 113245875
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea
CID 71989931
N-(5-ethyl-1,3-thiazol-2-yl)azetidine-3-carboxamide;hydrochloride
CID 130678944
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111509364

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea (CID 154840949) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea is CCc1cnc(NC(=O)NCc2nc(C)c(C)s2)s1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea?
The InChIKey is ROGUKNKXZSVOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-4-9-5-14-12(19-9)16-11(17)13-6-10-15-7(2)8(3)18-10/h5H,4,6H2,1-3H3,(H2,13,14,16,17).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea has a molecular weight of 296.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 154840949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).