1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea

C15H20N6OS — CID 51084056

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
SMILESCc1nc(CNC(=O)NC2CCCN(c3ncccn3)C2)cs1
InChIInChI=1S/C15H20N6OS/c1-11-19-13(10-23-11)8-18-15(22)20-12-4-2-7-21(9-12)14-16-5-3-6-17-14/h3,5-6,10,12H,2,4,7-9H2,1H3,(H2,18,20,22)
InChIKeyGIMGEGUREKLNLF-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.71
Rot. Bonds4

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea (PubChem CID 51084056) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
PubChem CID51084056
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
SMILESCc1nc(CNC(=O)NC2CCCN(c3ncccn3)C2)cs1
InChIInChI=1S/C15H20N6OS/c1-11-19-13(10-23-11)8-18-15(22)20-12-4-2-7-21(9-12)14-16-5-3-6-17-14/h3,5-6,10,12H,2,4,7-9H2,1H3,(H2,18,20,22)
InChIKeyGIMGEGUREKLNLF-UHFFFAOYSA-N
XLogP1.71
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea (CID 51084056) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea is Cc1nc(CNC(=O)NC2CCCN(c3ncccn3)C2)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The InChIKey is GIMGEGUREKLNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-11-19-13(10-23-11)8-18-15(22)20-12-4-2-7-21(9-12)14-16-5-3-6-17-14/h3,5-6,10,12H,2,4,7-9H2,1H3,(H2,18,20,22).
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea has a molecular weight of 332.43 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea is sourced from PubChem (CID 51084056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).