1-[(3R)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea

C11H18N4OS — CID 88577612

IUPAC1-[(3R)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)N[C@@H]2CCCN(C)C2)s1
InChIInChI=1S/C11H18N4OS/c1-8-6-12-11(17-8)14-10(16)13-9-4-3-5-15(2)7-9/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,16)/t9-/m1/s1
InChIKeyWWFSINDUCAXHDO-SECBINFHSA-N
MW254.36 g/mol
LogP1.67
Rot. Bonds2

About 1-[(3R)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea

1-[(3R)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 88577612) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-[(3R)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(3R)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID88577612
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-[(3R)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)N[C@@H]2CCCN(C)C2)s1
InChIInChI=1S/C11H18N4OS/c1-8-6-12-11(17-8)14-10(16)13-9-4-3-5-15(2)7-9/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,16)/t9-/m1/s1
InChIKeyWWFSINDUCAXHDO-SECBINFHSA-N
XLogP1.67
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(3R)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 88577612) is 1-[(3R)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(3R)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(3R)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1cnc(NC(=O)N[C@@H]2CCCN(C)C2)s1.
What is the InChIKey of 1-[(3R)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is WWFSINDUCAXHDO-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8-6-12-11(17-8)14-10(16)13-9-4-3-5-15(2)7-9/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,16)/t9-/m1/s1.
What are the key properties of 1-[(3R)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-[(3R)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 254.36 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 88577612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).