1-[(3-propan-2-yloxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea

C19H20N4O2S — CID 88898863

IUPAC1-[(3-propan-2-yloxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESCC(C)Oc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C19H20N4O2S/c1-13(2)25-16-5-3-4-14(10-16)11-21-18(24)23-19-22-17(12-26-19)15-6-8-20-9-7-15/h3-10,12-13H,11H2,1-2H3,(H2,21,22,23,24)
InChIKeyCLOVICBVGBJXBZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.31
Rot. Bonds6

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

1-[(3-propan-2-yloxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 88898863) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[(3-propan-2-yloxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(3-propan-2-yloxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID88898863
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-[(3-propan-2-yloxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESCC(C)Oc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C19H20N4O2S/c1-13(2)25-16-5-3-4-14(10-16)11-21-18(24)23-19-22-17(12-26-19)15-6-8-20-9-7-15/h3-10,12-13H,11H2,1-2H3,(H2,21,22,23,24)
InChIKeyCLOVICBVGBJXBZ-UHFFFAOYSA-N
XLogP4.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-propan-2-yloxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(3-propan-2-yloxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 88898863) is 1-[(3-propan-2-yloxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(3-propan-2-yloxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(3-propan-2-yloxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is CC(C)Oc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of 1-[(3-propan-2-yloxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is CLOVICBVGBJXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13(2)25-16-5-3-4-14(10-16)11-21-18(24)23-19-22-17(12-26-19)15-6-8-20-9-7-15/h3-10,12-13H,11H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 1-[(3-propan-2-yloxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-[(3-propan-2-yloxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea has a molecular weight of 368.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-yloxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 88898863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).