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

C13H22N4OS — CID 138032418

IUPAC1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-[(3R)-piperidin-3-yl]urea
SMILESCc1sc(NC(=O)N[C@@H]2CCCNC2)nc1C(C)C
InChIInChI=1S/C13H22N4OS/c1-8(2)11-9(3)19-13(16-11)17-12(18)15-10-5-4-6-14-7-10/h8,10,14H,4-7H2,1-3H3,(H2,15,16,17,18)/t10-/m1/s1
InChIKeyIMAATUGHVSDRLQ-SNVBAGLBSA-N
MW282.41 g/mol
LogP2.45
Rot. Bonds3

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

1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-[(3R)-piperidin-3-yl]urea (PubChem CID 138032418) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-[(3R)-piperidin-3-yl]urea.

Molecular Properties

Compound Name1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-[(3R)-piperidin-3-yl]urea
PubChem CID138032418
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-[(3R)-piperidin-3-yl]urea
SMILESCc1sc(NC(=O)N[C@@H]2CCCNC2)nc1C(C)C
InChIInChI=1S/C13H22N4OS/c1-8(2)11-9(3)19-13(16-11)17-12(18)15-10-5-4-6-14-7-10/h8,10,14H,4-7H2,1-3H3,(H2,15,16,17,18)/t10-/m1/s1
InChIKeyIMAATUGHVSDRLQ-SNVBAGLBSA-N
XLogP2.45
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-[(3R)-piperidin-3-yl]urea?
The IUPAC name of 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-[(3R)-piperidin-3-yl]urea (CID 138032418) is 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-[(3R)-piperidin-3-yl]urea.
What is the SMILES notation for 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-[(3R)-piperidin-3-yl]urea?
The canonical SMILES for 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-[(3R)-piperidin-3-yl]urea is Cc1sc(NC(=O)N[C@@H]2CCCNC2)nc1C(C)C.
What is the InChIKey of 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-[(3R)-piperidin-3-yl]urea?
The InChIKey is IMAATUGHVSDRLQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-8(2)11-9(3)19-13(16-11)17-12(18)15-10-5-4-6-14-7-10/h8,10,14H,4-7H2,1-3H3,(H2,15,16,17,18)/t10-/m1/s1.
What are the key properties of 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-[(3R)-piperidin-3-yl]urea?
1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-[(3R)-piperidin-3-yl]urea has a molecular weight of 282.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)-3-[(3R)-piperidin-3-yl]urea is sourced from PubChem (CID 138032418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).