1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea

C13H12N4OS — CID 110874729

IUPAC1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea
SMILESO=C(NCc1csc2nccn12)Nc1ccccc1
InChIInChI=1S/C13H12N4OS/c18-12(16-10-4-2-1-3-5-10)15-8-11-9-19-13-14-6-7-17(11)13/h1-7,9H,8H2,(H2,15,16,18)
InChIKeyQFVRFALTUDICSY-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.72
Rot. Bonds3

About 1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea

1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea (PubChem CID 110874729) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea.

Molecular Properties

Compound Name1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea
PubChem CID110874729
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea
SMILESO=C(NCc1csc2nccn12)Nc1ccccc1
InChIInChI=1S/C13H12N4OS/c18-12(16-10-4-2-1-3-5-10)15-8-11-9-19-13-14-6-7-17(11)13/h1-7,9H,8H2,(H2,15,16,18)
InChIKeyQFVRFALTUDICSY-UHFFFAOYSA-N
XLogP2.72
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276965
N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)oxolane-2-carboxamide
CID 110872139
1-phenyl-3-(thiadiazol-4-ylmethyl)urea
CID 174441234
5-chloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 110872204
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea
CID 67060654
1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea
CID 69171147
N-[4-[2-[(phenylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351811
1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545932
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea?
The IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea (CID 110874729) is 1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea.
What is the SMILES notation for 1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea?
The canonical SMILES for 1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea is O=C(NCc1csc2nccn12)Nc1ccccc1.
What is the InChIKey of 1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea?
The InChIKey is QFVRFALTUDICSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c18-12(16-10-4-2-1-3-5-10)15-8-11-9-19-13-14-6-7-17(11)13/h1-7,9H,8H2,(H2,15,16,18).
What are the key properties of 1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea?
1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea has a molecular weight of 272.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-phenylurea is sourced from PubChem (CID 110874729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).