1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea

C13H16N4O2S — CID 71870210

IUPAC1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea
SMILESCOCc1csc(NC(=O)NCc2ncccc2C)n1
InChIInChI=1S/C13H16N4O2S/c1-9-4-3-5-14-11(9)6-15-12(18)17-13-16-10(7-19-2)8-20-13/h3-5,8H,6-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyBSANXTMUPFCCOY-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.31
Rot. Bonds5

About 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea

1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea (PubChem CID 71870210) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea
PubChem CID71870210
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea
SMILESCOCc1csc(NC(=O)NCc2ncccc2C)n1
InChIInChI=1S/C13H16N4O2S/c1-9-4-3-5-14-11(9)6-15-12(18)17-13-16-10(7-19-2)8-20-13/h3-5,8H,6-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyBSANXTMUPFCCOY-UHFFFAOYSA-N
XLogP2.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.31
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-[(3-methyl-2-pyridinyl)methyl]urea?
The IUPAC name of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea (CID 71870210) is 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea is COCc1csc(NC(=O)NCc2ncccc2C)n1.
What is the InChIKey of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea?
The InChIKey is BSANXTMUPFCCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9-4-3-5-14-11(9)6-15-12(18)17-13-16-10(7-19-2)8-20-13/h3-5,8H,6-7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea?
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea has a molecular weight of 292.36 g/mol, XLogP of 2.31, 5 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-[(3-methyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 71870210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).