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

C6H10N4OS2 — CID 130612870

IUPAC(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea
SMILESCCCSc1nsc(NC(N)=O)n1
InChIInChI=1S/C6H10N4OS2/c1-2-3-12-6-9-5(13-10-6)8-4(7)11/h2-3H2,1H3,(H3,7,8,9,10,11)
InChIKeyMYQKMHUSEGZNEW-UHFFFAOYSA-N
MW218.31 g/mol
LogP1.53
Rot. Bonds4

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

(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 130612870) has the molecular formula C6H10N4OS2 and a molecular weight of 218.31 g/mol. Its IUPAC name is (3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID130612870
Molecular FormulaC6H10N4OS2
Molecular Weight218.31 g/mol
Exact Mass218.03
IUPAC Name(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea
SMILESCCCSc1nsc(NC(N)=O)n1
InChIInChI=1S/C6H10N4OS2/c1-2-3-12-6-9-5(13-10-6)8-4(7)11/h2-3H2,1H3,(H3,7,8,9,10,11)
InChIKeyMYQKMHUSEGZNEW-UHFFFAOYSA-N
XLogP1.53
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetic acid
CID 43466001
2-methyl-2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 81227681
2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 63282354
2-methyl-2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]propanoic acid
CID 62820361
3-[ethyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]propanoic acid
CID 61010943
3-methyl-2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylbutanoic acid
CID 105354041
2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-propan-2-ylamino]acetic acid
CID 60839634
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 103577112
2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 66214373
3-(difluoromethoxy)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)azetidine-1-carboxamide
CID 154797726
[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl] 5-chloro-2-hydroxybenzoate
CID 17484579
ethyl 4-amino-2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpyrimidine-5-carboxylate
CID 41433376

Frequently Asked Questions

What is the IUPAC name of (3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of (3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea (CID 130612870) is (3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for (3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for (3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea is CCCSc1nsc(NC(N)=O)n1.
What is the InChIKey of (3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is MYQKMHUSEGZNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS2/c1-2-3-12-6-9-5(13-10-6)8-4(7)11/h2-3H2,1H3,(H3,7,8,9,10,11).
What are the key properties of (3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 218.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 130612870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).