1,1-dimethyl-3-(thiadiazol-5-yl)urea

C5H8N4OS — CID 1499050

IUPAC1,1-dimethyl-3-(thiadiazol-5-yl)urea
SMILESCN(C)C(=O)Nc1cnns1
InChIInChI=1S/C5H8N4OS/c1-9(2)5(10)7-4-3-6-8-11-4/h3H,1-2H3,(H,7,10)
InChIKeyVRDXBOVPPFPUQZ-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.63
Rot. Bonds1

About 1,1-dimethyl-3-(thiadiazol-5-yl)urea

1,1-dimethyl-3-(thiadiazol-5-yl)urea (PubChem CID 1499050) has the molecular formula C5H8N4OS and a molecular weight of 172.21 g/mol. Its IUPAC name is 1,1-dimethyl-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(thiadiazol-5-yl)urea
PubChem CID1499050
Molecular FormulaC5H8N4OS
Molecular Weight172.21 g/mol
Exact Mass172.04
IUPAC Name1,1-dimethyl-3-(thiadiazol-5-yl)urea
SMILESCN(C)C(=O)Nc1cnns1
InChIInChI=1S/C5H8N4OS/c1-9(2)5(10)7-4-3-6-8-11-4/h3H,1-2H3,(H,7,10)
InChIKeyVRDXBOVPPFPUQZ-UHFFFAOYSA-N
XLogP0.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methoxyethyl)-3-(thiadiazol-5-yl)urea
CID 118947625
N-1,2,3-Thiadiazol-5-ylurea
CID 18352222
1-Ethyl-1-methyl-3-(thiadiazol-5-yl)urea
CID 86807489
1-Butyl-1-ethyl-3-(thiadiazol-5-yl)urea
CID 99836113
N-Cyclopentyl-N'-1,2,3-thiadiazol-5-ylurea
CID 23044826
1-(Thiadiazol-5-yl)-3-(2,2,2-trifluoroethyl)urea
CID 107649831
3,3-difluoro-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 128069727
3-fluoro-3-methyl-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 128069969
1-(2-Fluoroethyl)-3-(thiadiazol-5-yl)urea
CID 130668369
1-(1-Fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea
CID 130679934
1-(2,2-Difluoroethyl)-1-methyl-3-(thiadiazol-5-yl)urea
CID 132297949
N-(thiadiazol-5-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 137925604

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(thiadiazol-5-yl)urea (CID 1499050) is 1,1-dimethyl-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(thiadiazol-5-yl)urea is CN(C)C(=O)Nc1cnns1.
What is the InChIKey of 1,1-dimethyl-3-(thiadiazol-5-yl)urea?
The InChIKey is VRDXBOVPPFPUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4OS/c1-9(2)5(10)7-4-3-6-8-11-4/h3H,1-2H3,(H,7,10).
What are the key properties of 1,1-dimethyl-3-(thiadiazol-5-yl)urea?
1,1-dimethyl-3-(thiadiazol-5-yl)urea has a molecular weight of 172.21 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 1499050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).