1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea

C12H14N4O2S — CID 75464257

IUPAC1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea
SMILESCOCc1csc(NC(=O)NCc2ccccn2)n1
InChIInChI=1S/C12H14N4O2S/c1-18-7-10-8-19-12(15-10)16-11(17)14-6-9-4-2-3-5-13-9/h2-5,8H,6-7H2,1H3,(H2,14,15,16,17)
InChIKeyWAWKRWCETCJVHT-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.01
Rot. Bonds5

About 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea

1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 75464257) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea
PubChem CID75464257
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea
SMILESCOCc1csc(NC(=O)NCc2ccccn2)n1
InChIInChI=1S/C12H14N4O2S/c1-18-7-10-8-19-12(15-10)16-11(17)14-6-9-4-2-3-5-13-9/h2-5,8H,6-7H2,1H3,(H2,14,15,16,17)
InChIKeyWAWKRWCETCJVHT-UHFFFAOYSA-N
XLogP2.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea
CID 99833695
[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87285914
(2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide
CID 99715252
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119744727
1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea
CID 35024520
1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 87065383
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 71991764
4-(methoxymethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;dihydrochloride
CID 120615837
5-(methoxymethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 78827581
1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea
CID 25050874
1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
CID 108910258

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea (CID 75464257) is 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea is COCc1csc(NC(=O)NCc2ccccn2)n1.
What is the InChIKey of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is WAWKRWCETCJVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-18-7-10-8-19-12(15-10)16-11(17)14-6-9-4-2-3-5-13-9/h2-5,8H,6-7H2,1H3,(H2,14,15,16,17).
What are the key properties of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea?
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 278.34 g/mol, XLogP of 2.01, 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-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 75464257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).