1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea

C10H16N4O2S — CID 47173590

IUPAC1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
SMILESCNC(=O)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C10H16N4O2S/c1-11-9(15)13-10-12-8(7-17-10)6-14-2-4-16-5-3-14/h7H,2-6H2,1H3,(H2,11,12,13,15)
InChIKeyLAYVGSJGQDUMNV-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.73
Rot. Bonds3

About 1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea

1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea (PubChem CID 47173590) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
PubChem CID47173590
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
SMILESCNC(=O)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C10H16N4O2S/c1-11-9(15)13-10-12-8(7-17-10)6-14-2-4-16-5-3-14/h7H,2-6H2,1H3,(H2,11,12,13,15)
InChIKeyLAYVGSJGQDUMNV-UHFFFAOYSA-N
XLogP0.73
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830508
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119830551
1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 127323259
1-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119830558
2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 29324595
2-(4-hydroxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78837285
1-[(3,4-dichlorophenyl)methyl]-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea;hydrochloride
CID 87736854
6-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 29324984
3-(4-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 46525016
2-ethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547705
2-hydroxy-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 46525048

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea (CID 47173590) is 1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea is CNC(=O)Nc1nc(CN2CCOCC2)cs1.
What is the InChIKey of 1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is LAYVGSJGQDUMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-11-9(15)13-10-12-8(7-17-10)6-14-2-4-16-5-3-14/h7H,2-6H2,1H3,(H2,11,12,13,15).
What are the key properties of 1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea?
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 256.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 47173590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).