1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea

C15H24N6OS — CID 21090598

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea
SMILESCCn1ccnc1CNC(=O)Nc1nc(CN(C)C(C)C)cs1
InChIInChI=1S/C15H24N6OS/c1-5-21-7-6-16-13(21)8-17-14(22)19-15-18-12(10-23-15)9-20(4)11(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H2,17,18,19,22)
InChIKeyVNCOQTVKMONLJA-UHFFFAOYSA-N
MW336.47 g/mol
LogP2.52
Rot. Bonds7

About 1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea

1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea (PubChem CID 21090598) has the molecular formula C15H24N6OS and a molecular weight of 336.47 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea
PubChem CID21090598
Molecular FormulaC15H24N6OS
Molecular Weight336.47 g/mol
Exact Mass336.17
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea
SMILESCCn1ccnc1CNC(=O)Nc1nc(CN(C)C(C)C)cs1
InChIInChI=1S/C15H24N6OS/c1-5-21-7-6-16-13(21)8-17-14(22)19-15-18-12(10-23-15)9-20(4)11(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H2,17,18,19,22)
InChIKeyVNCOQTVKMONLJA-UHFFFAOYSA-N
XLogP2.52
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea
CID 11688959
1-(4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea;2,2,2-trifluoroacetic acid
CID 11633402
1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea
CID 87938052
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea
CID 11567293
1-(3-fluoro-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea
CID 11544581
1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea
CID 11689052
1-(2-methyl-1,3-benzothiazol-5-yl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea
CID 11603230
1-[(3,4-dichlorophenyl)methyl]-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea
CID 25051873
N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 87095364
2-[(1-ethylimidazol-2-yl)methyl]-1,1-dimethylhydrazine
CID 83003999
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 25206308
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide
CID 25206964

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea (CID 21090598) is 1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea is CCn1ccnc1CNC(=O)Nc1nc(CN(C)C(C)C)cs1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea?
The InChIKey is VNCOQTVKMONLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6OS/c1-5-21-7-6-16-13(21)8-17-14(22)19-15-18-12(10-23-15)9-20(4)11(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H2,17,18,19,22).
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea?
1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea has a molecular weight of 336.47 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 21090598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).