(3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone

C11H18N4OS — CID 103575855

IUPAC(3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)N1CC(C)C(N)C1
InChIInChI=1S/C11H18N4OS/c1-6(2)9-10(17-14-13-9)11(16)15-4-7(3)8(12)5-15/h6-8H,4-5,12H2,1-3H3
InChIKeyVMNBVTVOTNVXSC-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.08
Rot. Bonds2

About (3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone

(3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 103575855) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is (3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
PubChem CID103575855
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name(3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)N1CC(C)C(N)C1
InChIInChI=1S/C11H18N4OS/c1-6(2)9-10(17-14-13-9)11(16)15-4-7(3)8(12)5-15/h6-8H,4-5,12H2,1-3H3
InChIKeyVMNBVTVOTNVXSC-UHFFFAOYSA-N
XLogP1.08
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059620
1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one
CID 65204766
4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 65204851
ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 115535606
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 81209564
(3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 103575811
(3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65244992
(2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 65204163
[4-(2-bromoethoxy)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 82701844
4-ethyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 65204507
[2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 65204638
3-methyl-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65204553

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 103575855) is (3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for (3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for (3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone is CC(C)c1nnsc1C(=O)N1CC(C)C(N)C1.
What is the InChIKey of (3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The InChIKey is VMNBVTVOTNVXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-6(2)9-10(17-14-13-9)11(16)15-4-7(3)8(12)5-15/h6-8H,4-5,12H2,1-3H3.
What are the key properties of (3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
(3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 254.36 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 103575855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).