N-carbamoyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

C9H14N4O2S3 — CID 17408425

IUPACN-carbamoyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCCCSc1nnc(SC(C)C(=O)NC(N)=O)s1
InChIInChI=1S/C9H14N4O2S3/c1-3-4-16-8-12-13-9(18-8)17-5(2)6(14)11-7(10)15/h5H,3-4H2,1-2H3,(H3,10,11,14,15)
InChIKeyBWSIJCGBXQCZMY-UHFFFAOYSA-N
MW306.44 g/mol
LogP1.72
Rot. Bonds6

About N-carbamoyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

N-carbamoyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 17408425) has the molecular formula C9H14N4O2S3 and a molecular weight of 306.44 g/mol. Its IUPAC name is N-carbamoyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
PubChem CID17408425
Molecular FormulaC9H14N4O2S3
Molecular Weight306.44 g/mol
Exact Mass306.03
IUPAC NameN-carbamoyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCCCSc1nnc(SC(C)C(=O)NC(N)=O)s1
InChIInChI=1S/C9H14N4O2S3/c1-3-4-16-8-12-13-9(18-8)17-5(2)6(14)11-7(10)15/h5H,3-4H2,1-2H3,(H3,10,11,14,15)
InChIKeyBWSIJCGBXQCZMY-UHFFFAOYSA-N
XLogP1.72
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-carbamoyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 17408425) is N-carbamoyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-carbamoyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-carbamoyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is CCCSc1nnc(SC(C)C(=O)NC(N)=O)s1.
What is the InChIKey of N-carbamoyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is BWSIJCGBXQCZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S3/c1-3-4-16-8-12-13-9(18-8)17-5(2)6(14)11-7(10)15/h5H,3-4H2,1-2H3,(H3,10,11,14,15).
What are the key properties of N-carbamoyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
N-carbamoyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 306.44 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 17408425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).