1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea

C16H23N5O2S — CID 154745107

IUPAC1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea
SMILESCc1cc(NC(=O)Nc2nc(C3CCOCC3)cs2)nn1C(C)C
InChIInChI=1S/C16H23N5O2S/c1-10(2)21-11(3)8-14(20-21)18-15(22)19-16-17-13(9-24-16)12-4-6-23-7-5-12/h8-10,12H,4-7H2,1-3H3,(H2,17,18,19,20,22)
InChIKeyIXGFZAXSUXVUHT-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.77
Rot. Bonds4

About 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea

1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea (PubChem CID 154745107) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea
PubChem CID154745107
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea
SMILESCc1cc(NC(=O)Nc2nc(C3CCOCC3)cs2)nn1C(C)C
InChIInChI=1S/C16H23N5O2S/c1-10(2)21-11(3)8-14(20-21)18-15(22)19-16-17-13(9-24-16)12-4-6-23-7-5-12/h8-10,12H,4-7H2,1-3H3,(H2,17,18,19,20,22)
InChIKeyIXGFZAXSUXVUHT-UHFFFAOYSA-N
XLogP3.77
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea (CID 154745107) is 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea is Cc1cc(NC(=O)Nc2nc(C3CCOCC3)cs2)nn1C(C)C.
What is the InChIKey of 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea?
The InChIKey is IXGFZAXSUXVUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-10(2)21-11(3)8-14(20-21)18-15(22)19-16-17-13(9-24-16)12-4-6-23-7-5-12/h8-10,12H,4-7H2,1-3H3,(H2,17,18,19,20,22).
What are the key properties of 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea?
1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea has a molecular weight of 349.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 154745107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).