3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea

C14H21N5OS2 — CID 84600514

IUPAC3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
SMILESCC(CN(C)C(=O)NCc1csc(N(C)C)n1)c1nccs1
InChIInChI=1S/C14H21N5OS2/c1-10(12-15-5-6-21-12)8-19(4)13(20)16-7-11-9-22-14(17-11)18(2)3/h5-6,9-10H,7-8H2,1-4H3,(H,16,20)
InChIKeyOVDIJGYRYVQYJX-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.61
Rot. Bonds6

About 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea

3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 84600514) has the molecular formula C14H21N5OS2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
PubChem CID84600514
Molecular FormulaC14H21N5OS2
Molecular Weight339.49 g/mol
Exact Mass339.12
IUPAC Name3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
SMILESCC(CN(C)C(=O)NCc1csc(N(C)C)n1)c1nccs1
InChIInChI=1S/C14H21N5OS2/c1-10(12-15-5-6-21-12)8-19(4)13(20)16-7-11-9-22-14(17-11)18(2)3/h5-6,9-10H,7-8H2,1-4H3,(H,16,20)
InChIKeyOVDIJGYRYVQYJX-UHFFFAOYSA-N
XLogP2.61
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea with MolForge

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Related Compounds

3-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75477201
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CID 97350993
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CID 97351606
1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 102562764
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CID 139374899
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CID 124615981
3-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 84600832
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 99854195
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea (CID 84600514) is 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea is CC(CN(C)C(=O)NCc1csc(N(C)C)n1)c1nccs1.
What is the InChIKey of 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is OVDIJGYRYVQYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS2/c1-10(12-15-5-6-21-12)8-19(4)13(20)16-7-11-9-22-14(17-11)18(2)3/h5-6,9-10H,7-8H2,1-4H3,(H,16,20).
What are the key properties of 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea?
3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 339.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 84600514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).