1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea

C16H24N6OS — CID 71870403

IUPAC1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCC(C)c1csc(NC(=O)NC2CCCN(c3cnn(C)c3)C2)n1
InChIInChI=1S/C16H24N6OS/c1-11(2)14-10-24-16(19-14)20-15(23)18-12-5-4-6-22(8-12)13-7-17-21(3)9-13/h7,9-12H,4-6,8H2,1-3H3,(H2,18,19,20,23)
InChIKeyUCARTWDHWIHZFF-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.79
Rot. Bonds4

About 1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea

1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea (PubChem CID 71870403) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is 1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
PubChem CID71870403
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCC(C)c1csc(NC(=O)NC2CCCN(c3cnn(C)c3)C2)n1
InChIInChI=1S/C16H24N6OS/c1-11(2)14-10-24-16(19-14)20-15(23)18-12-5-4-6-22(8-12)13-7-17-21(3)9-13/h7,9-12H,4-6,8H2,1-3H3,(H2,18,19,20,23)
InChIKeyUCARTWDHWIHZFF-UHFFFAOYSA-N
XLogP2.79
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea (CID 71870403) is 1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea is CC(C)c1csc(NC(=O)NC2CCCN(c3cnn(C)c3)C2)n1.
What is the InChIKey of 1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea?
The InChIKey is UCARTWDHWIHZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-11(2)14-10-24-16(19-14)20-15(23)18-12-5-4-6-22(8-12)13-7-17-21(3)9-13/h7,9-12H,4-6,8H2,1-3H3,(H2,18,19,20,23).
What are the key properties of 1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea?
1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea has a molecular weight of 348.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 71870403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).