(5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone

C9H15N5OS — CID 80616823

IUPAC(5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2nnc(N)s2)C1
InChIInChI=1S/C9H15N5OS/c1-13(2)6-3-4-14(5-6)8(15)7-11-12-9(10)16-7/h6H,3-5H2,1-2H3,(H2,10,12)
InChIKeyRSHSRWXGWXPKKC-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.10
Rot. Bonds2

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

(5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 80616823) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is (5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID80616823
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name(5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2nnc(N)s2)C1
InChIInChI=1S/C9H15N5OS/c1-13(2)6-3-4-14(5-6)8(15)7-11-12-9(10)16-7/h6H,3-5H2,1-2H3,(H2,10,12)
InChIKeyRSHSRWXGWXPKKC-UHFFFAOYSA-N
XLogP-0.10
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-amino-1,3,4-thiadiazol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 80615672
(5-amino-1,3,4-thiadiazol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 80615337
(5-amino-1,3,4-thiadiazol-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 80615611
(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167266
(5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone
CID 80616319
(5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 80618421
(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167267
(3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166059
(5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80618423
(5-amino-1,3,4-thiadiazol-2-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
CID 113399539
(3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63171387
(3-amino-4-bromophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166595

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 80616823) is (5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2nnc(N)s2)C1.
What is the InChIKey of (5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is RSHSRWXGWXPKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-13(2)6-3-4-14(5-6)8(15)7-11-12-9(10)16-7/h6H,3-5H2,1-2H3,(H2,10,12).
What are the key properties of (5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
(5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 241.32 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 80616823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).