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

C15H16N4OS3 — CID 155950948

IUPAC1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea
SMILESCCc1cnc(NC(=O)NCc2ccc(-c3csc(C)n3)s2)s1
InChIInChI=1S/C15H16N4OS3/c1-3-10-6-17-15(23-10)19-14(20)16-7-11-4-5-13(22-11)12-8-21-9(2)18-12/h4-6,8H,3,7H2,1-2H3,(H2,16,17,19,20)
InChIKeyCNKBMZNFLYZLAM-UHFFFAOYSA-N
MW364.52 g/mol
LogP4.52
Rot. Bonds5

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

1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea (PubChem CID 155950948) has the molecular formula C15H16N4OS3 and a molecular weight of 364.52 g/mol. Its IUPAC name is 1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea
PubChem CID155950948
Molecular FormulaC15H16N4OS3
Molecular Weight364.52 g/mol
Exact Mass364.05
IUPAC Name1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea
SMILESCCc1cnc(NC(=O)NCc2ccc(-c3csc(C)n3)s2)s1
InChIInChI=1S/C15H16N4OS3/c1-3-10-6-17-15(23-10)19-14(20)16-7-11-4-5-13(22-11)12-8-21-9(2)18-12/h4-6,8H,3,7H2,1-2H3,(H2,16,17,19,20)
InChIKeyCNKBMZNFLYZLAM-UHFFFAOYSA-N
XLogP4.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea?
The IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea (CID 155950948) is 1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea.
What is the SMILES notation for 1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea?
The canonical SMILES for 1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea is CCc1cnc(NC(=O)NCc2ccc(-c3csc(C)n3)s2)s1.
What is the InChIKey of 1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea?
The InChIKey is CNKBMZNFLYZLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS3/c1-3-10-6-17-15(23-10)19-14(20)16-7-11-4-5-13(22-11)12-8-21-9(2)18-12/h4-6,8H,3,7H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea?
1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea has a molecular weight of 364.52 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3-thiazol-2-yl)-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]urea is sourced from PubChem (CID 155950948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).