1,3-dimethyl-1-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea

C10H17N5O2S — CID 56693046

IUPAC1,3-dimethyl-1-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea
SMILESCNC(=O)N(C)c1nc(CN2CCOCC2)ns1
InChIInChI=1S/C10H17N5O2S/c1-11-9(16)14(2)10-12-8(13-18-10)7-15-3-5-17-6-4-15/h3-7H2,1-2H3,(H,11,16)
InChIKeyPMZXFGGESJIOJY-UHFFFAOYSA-N
MW271.35 g/mol
LogP0.15
Rot. Bonds3

About 1,3-dimethyl-1-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea

1,3-dimethyl-1-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea (PubChem CID 56693046) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 1,3-dimethyl-1-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea.

Molecular Properties

Compound Name1,3-dimethyl-1-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea
PubChem CID56693046
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name1,3-dimethyl-1-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea
SMILESCNC(=O)N(C)c1nc(CN2CCOCC2)ns1
InChIInChI=1S/C10H17N5O2S/c1-11-9(16)14(2)10-12-8(13-18-10)7-15-3-5-17-6-4-15/h3-7H2,1-2H3,(H,11,16)
InChIKeyPMZXFGGESJIOJY-UHFFFAOYSA-N
XLogP0.15
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 71866355
1-[4-[2-[[3-(Methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 72112069
N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 123960488
3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65267457
3-methyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65267561
N'-(2-methoxyethyl)-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267989
N-(2-morpholin-4-ylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271030
N-(2-morpholin-4-ylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271084
3-ethyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65271085
N-(2-methoxyethyl)-N'-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65273221
3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65276780
3-(Morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 66523860

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea?
The IUPAC name of 1,3-dimethyl-1-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea (CID 56693046) is 1,3-dimethyl-1-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea.
What is the SMILES notation for 1,3-dimethyl-1-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea?
The canonical SMILES for 1,3-dimethyl-1-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea is CNC(=O)N(C)c1nc(CN2CCOCC2)ns1.
What is the InChIKey of 1,3-dimethyl-1-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea?
The InChIKey is PMZXFGGESJIOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-11-9(16)14(2)10-12-8(13-18-10)7-15-3-5-17-6-4-15/h3-7H2,1-2H3,(H,11,16).
What are the key properties of 1,3-dimethyl-1-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea?
1,3-dimethyl-1-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea has a molecular weight of 271.35 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea is sourced from PubChem (CID 56693046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).