1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea

C18H30N4O2S — CID 126791727

IUPAC1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea
SMILESCCC1CCc2nc(NC(=O)NC3CCN(CCOC)CC3)sc2C1
InChIInChI=1S/C18H30N4O2S/c1-3-13-4-5-15-16(12-13)25-18(20-15)21-17(23)19-14-6-8-22(9-7-14)10-11-24-2/h13-14H,3-12H2,1-2H3,(H2,19,20,21,23)
InChIKeyYDRDNGQDIPCTRU-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.89
Rot. Bonds6

About 1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea

1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea (PubChem CID 126791727) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea
PubChem CID126791727
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea
SMILESCCC1CCc2nc(NC(=O)NC3CCN(CCOC)CC3)sc2C1
InChIInChI=1S/C18H30N4O2S/c1-3-13-4-5-15-16(12-13)25-18(20-15)21-17(23)19-14-6-8-22(9-7-14)10-11-24-2/h13-14H,3-12H2,1-2H3,(H2,19,20,21,23)
InChIKeyYDRDNGQDIPCTRU-UHFFFAOYSA-N
XLogP2.89
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]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-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea?
The IUPAC name of 1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea (CID 126791727) is 1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea is CCC1CCc2nc(NC(=O)NC3CCN(CCOC)CC3)sc2C1.
What is the InChIKey of 1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea?
The InChIKey is YDRDNGQDIPCTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-3-13-4-5-15-16(12-13)25-18(20-15)21-17(23)19-14-6-8-22(9-7-14)10-11-24-2/h13-14H,3-12H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea?
1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea has a molecular weight of 366.53 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[1-(2-methoxyethyl)piperidin-4-yl]urea is sourced from PubChem (CID 126791727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).