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

C15H26N4OS — CID 94030417

IUPAC1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NCCN2CCCC[C@@H]2C)cs1
InChIInChI=1S/C15H26N4OS/c1-12-5-3-4-9-19(12)10-8-17-15(20)16-7-6-14-11-21-13(2)18-14/h11-12H,3-10H2,1-2H3,(H2,16,17,20)/t12-/m0/s1
InChIKeyQKELASBISZPUKK-LBPRGKRZSA-N
MW310.47 g/mol
LogP2.17
Rot. Bonds6

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

1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 94030417) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID94030417
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NCCN2CCCC[C@@H]2C)cs1
InChIInChI=1S/C15H26N4OS/c1-12-5-3-4-9-19(12)10-8-17-15(20)16-7-6-14-11-21-13(2)18-14/h11-12H,3-10H2,1-2H3,(H2,16,17,20)/t12-/m0/s1
InChIKeyQKELASBISZPUKK-LBPRGKRZSA-N
XLogP2.17
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 94030417) is 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1nc(CCNC(=O)NCCN2CCCC[C@@H]2C)cs1.
What is the InChIKey of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is QKELASBISZPUKK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-12-5-3-4-9-19(12)10-8-17-15(20)16-7-6-14-11-21-13(2)18-14/h11-12H,3-10H2,1-2H3,(H2,16,17,20)/t12-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 310.47 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 94030417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).