1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C15H26N4OS — CID 94047885

IUPAC1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)cs1
InChIInChI=1S/C15H26N4OS/c1-11-6-4-5-7-19(11)12(2)8-16-15(20)17-9-14-10-21-13(3)18-14/h10-12H,4-9H2,1-3H3,(H2,16,17,20)/t11-,12-/m0/s1
InChIKeyLDANIIYGQDHURX-RYUDHWBXSA-N
MW310.47 g/mol
LogP2.51
Rot. Bonds5

About 1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 94047885) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID94047885
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)cs1
InChIInChI=1S/C15H26N4OS/c1-11-6-4-5-7-19(11)12(2)8-16-15(20)17-9-14-10-21-13(3)18-14/h10-12H,4-9H2,1-3H3,(H2,16,17,20)/t11-,12-/m0/s1
InChIKeyLDANIIYGQDHURX-RYUDHWBXSA-N
XLogP2.51
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea with MolForge

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Related Compounds

1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 95133792
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
CID 95131912
1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 95134341
1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 100836225
1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea
CID 129418976
1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea
CID 51080593
1-[(2S)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
CID 97092342
N-[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]pyridine-4-carboxamide
CID 98719912
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51083516
1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94029075
1-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047889
2-[2-[1-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 82123462

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 94047885) is 1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is Cc1nc(CNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)cs1.
What is the InChIKey of 1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is LDANIIYGQDHURX-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-11-6-4-5-7-19(11)12(2)8-16-15(20)17-9-14-10-21-13(3)18-14/h10-12H,4-9H2,1-3H3,(H2,16,17,20)/t11-,12-/m0/s1.
What are the key properties of 1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 310.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 94047885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).