1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea

C9H10N4OS2 — CID 139636454

IUPAC1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea
SMILESCCN(C(=O)Nc1nccs1)c1nccs1
InChIInChI=1S/C9H10N4OS2/c1-2-13(9-11-4-6-16-9)8(14)12-7-10-3-5-15-7/h3-6H,2H2,1H3,(H,10,12,14)
InChIKeyNBBBLINMCQJXTD-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.66
Rot. Bonds3

About 1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea

1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea (PubChem CID 139636454) has the molecular formula C9H10N4OS2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea
PubChem CID139636454
Molecular FormulaC9H10N4OS2
Molecular Weight254.34 g/mol
Exact Mass254.03
IUPAC Name1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea
SMILESCCN(C(=O)Nc1nccs1)c1nccs1
InChIInChI=1S/C9H10N4OS2/c1-2-13(9-11-4-6-16-9)8(14)12-7-10-3-5-15-7/h3-6H,2H2,1H3,(H,10,12,14)
InChIKeyNBBBLINMCQJXTD-UHFFFAOYSA-N
XLogP2.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 115603490
1-ethyl-3-nitro-1-(1,3-thiazol-2-yl)urea
CID 174995837
N,N-diethylethanamine;1,3-thiazol-2-ylcarbamodithioic acid
CID 12657202
1-methyl-1-nitroso-3-(1,3-thiazol-2-yl)urea;dihydrochloride
CID 174438670
1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea
CID 131176329
chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 174565601
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108511411
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
1-methyl-1-phenyl-3-(1,3-thiazol-2-yl)urea
CID 34880183
2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid
CID 62625896

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea (CID 139636454) is 1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea is CCN(C(=O)Nc1nccs1)c1nccs1.
What is the InChIKey of 1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea?
The InChIKey is NBBBLINMCQJXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS2/c1-2-13(9-11-4-6-16-9)8(14)12-7-10-3-5-15-7/h3-6H,2H2,1H3,(H,10,12,14).
What are the key properties of 1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea?
1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea has a molecular weight of 254.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 139636454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).