1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea

C6H10N4OS — CID 21417198

IUPAC1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCNC(=O)Nc1nnc(C)s1
InChIInChI=1S/C6H10N4OS/c1-3-7-5(11)8-6-10-9-4(2)12-6/h3H2,1-2H3,(H2,7,8,10,11)
InChIKeyHBEAJJCKJUCCTN-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.99
Rot. Bonds2

About 1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea

1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 21417198) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID21417198
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCNC(=O)Nc1nnc(C)s1
InChIInChI=1S/C6H10N4OS/c1-3-7-5(11)8-6-10-9-4(2)12-6/h3H2,1-2H3,(H2,7,8,10,11)
InChIKeyHBEAJJCKJUCCTN-UHFFFAOYSA-N
XLogP0.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]butanoic acid
CID 107841233
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394
(2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 114005864
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 154839750
4-[[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 104963974
(2S)-4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanoic acid
CID 104873953
(2S)-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanoic acid
CID 104873943
1-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 95191116
1-[(1,1-dioxothiolan-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 127492916
dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium
CID 6965716
(1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 7028535
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (CID 21417198) is 1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is CCNC(=O)Nc1nnc(C)s1.
What is the InChIKey of 1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is HBEAJJCKJUCCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-3-7-5(11)8-6-10-9-4(2)12-6/h3H2,1-2H3,(H2,7,8,10,11).
What are the key properties of 1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 186.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 21417198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).