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

C14H24N4O2S — CID 75535588

IUPAC1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
SMILESCOCc1csc(NC(=O)NCCN2CCC(C)CC2)n1
InChIInChI=1S/C14H24N4O2S/c1-11-3-6-18(7-4-11)8-5-15-13(19)17-14-16-12(9-20-2)10-21-14/h10-11H,3-9H2,1-2H3,(H2,15,16,17,19)
InChIKeyXGSLBQVAGNVYBY-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.14
Rot. Bonds6

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

1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea (PubChem CID 75535588) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
PubChem CID75535588
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
SMILESCOCc1csc(NC(=O)NCCN2CCC(C)CC2)n1
InChIInChI=1S/C14H24N4O2S/c1-11-3-6-18(7-4-11)8-5-15-13(19)17-14-16-12(9-20-2)10-21-14/h10-11H,3-9H2,1-2H3,(H2,15,16,17,19)
InChIKeyXGSLBQVAGNVYBY-UHFFFAOYSA-N
XLogP2.14
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea (CID 75535588) is 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea is COCc1csc(NC(=O)NCCN2CCC(C)CC2)n1.
What is the InChIKey of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The InChIKey is XGSLBQVAGNVYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-11-3-6-18(7-4-11)8-5-15-13(19)17-14-16-12(9-20-2)10-21-14/h10-11H,3-9H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea has a molecular weight of 312.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 75535588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).