1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea

C16H23N3O2S — CID 102558480

IUPAC1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
SMILESCOCc1csc(NC(=O)NC2CC3CC2C2CCCC32)n1
InChIInChI=1S/C16H23N3O2S/c1-21-7-10-8-22-16(17-10)19-15(20)18-14-6-9-5-13(14)12-4-2-3-11(9)12/h8-9,11-14H,2-7H2,1H3,(H2,17,18,19,20)
InChIKeyYVWOVKNUTSLTBF-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.24
Rot. Bonds4

About 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea

1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea (PubChem CID 102558480) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
PubChem CID102558480
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
SMILESCOCc1csc(NC(=O)NC2CC3CC2C2CCCC32)n1
InChIInChI=1S/C16H23N3O2S/c1-21-7-10-8-22-16(17-10)19-15(20)18-14-6-9-5-13(14)12-4-2-3-11(9)12/h8-9,11-14H,2-7H2,1H3,(H2,17,18,19,20)
InChIKeyYVWOVKNUTSLTBF-UHFFFAOYSA-N
XLogP3.24
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea with MolForge

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Related Compounds

(2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 96999732
[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87285914
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119301038
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea
CID 99833695
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119744727
methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 47197345
methyl 2-[2-(bicyclo[3.1.0]hexane-6-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 79600201
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea
CID 75464257
4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43710188
1-[(3,4-dimethoxyphenyl)methyl]-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124735238
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 20930030
(2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide
CID 99715252

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
The IUPAC name of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea (CID 102558480) is 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea.
What is the SMILES notation for 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
The canonical SMILES for 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea is COCc1csc(NC(=O)NC2CC3CC2C2CCCC32)n1.
What is the InChIKey of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
The InChIKey is YVWOVKNUTSLTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-21-7-10-8-22-16(17-10)19-15(20)18-14-6-9-5-13(14)12-4-2-3-11(9)12/h8-9,11-14H,2-7H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea has a molecular weight of 321.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea is sourced from PubChem (CID 102558480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).