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

C15H26N4O2S — CID 71989950

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea
SMILESCOCCN1CCCC(NC(=O)NCc2nc(C)c(C)s2)C1
InChIInChI=1S/C15H26N4O2S/c1-11-12(2)22-14(17-11)9-16-15(20)18-13-5-4-6-19(10-13)7-8-21-3/h13H,4-10H2,1-3H3,(H2,16,18,20)
InChIKeyASLBXKXLSGCMRQ-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.67
Rot. Bonds6

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

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea (PubChem CID 71989950) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea
PubChem CID71989950
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea
SMILESCOCCN1CCCC(NC(=O)NCc2nc(C)c(C)s2)C1
InChIInChI=1S/C15H26N4O2S/c1-11-12(2)22-14(17-11)9-16-15(20)18-13-5-4-6-19(10-13)7-8-21-3/h13H,4-10H2,1-3H3,(H2,16,18,20)
InChIKeyASLBXKXLSGCMRQ-UHFFFAOYSA-N
XLogP1.67
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea (CID 71989950) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea is COCCN1CCCC(NC(=O)NCc2nc(C)c(C)s2)C1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea?
The InChIKey is ASLBXKXLSGCMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-11-12(2)22-14(17-11)9-16-15(20)18-13-5-4-6-19(10-13)7-8-21-3/h13H,4-10H2,1-3H3,(H2,16,18,20).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea has a molecular weight of 326.47 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea is sourced from PubChem (CID 71989950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).