1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one

C12H20N4OS — CID 133366605

IUPAC1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2nc(C(C)C)ns2)C1
InChIInChI=1S/C12H20N4OS/c1-4-10(17)16-6-5-9(7-16)13-12-14-11(8(2)3)15-18-12/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyVIXBOWJNPBDPPS-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.08
Rot. Bonds4

About 1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one

1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one (PubChem CID 133366605) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one
PubChem CID133366605
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2nc(C(C)C)ns2)C1
InChIInChI=1S/C12H20N4OS/c1-4-10(17)16-6-5-9(7-16)13-12-14-11(8(2)3)15-18-12/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyVIXBOWJNPBDPPS-UHFFFAOYSA-N
XLogP2.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 146127075
N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276901
N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65277046
N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 97161060
N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 97161059
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65471658
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 86788817
3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide
CID 133484820
1-[3-[[2-(difluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366706
cyclopentyl-[3-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]methanone
CID 133366768
2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide
CID 133430381
1-[(3R,4S)-3-ethyl-4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one
CID 97026793

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one (CID 133366605) is 1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(Nc2nc(C(C)C)ns2)C1.
What is the InChIKey of 1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one?
The InChIKey is VIXBOWJNPBDPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-4-10(17)16-6-5-9(7-16)13-12-14-11(8(2)3)15-18-12/h8-9H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one?
1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one has a molecular weight of 268.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 133366605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).