(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone

C15H24N4OS — CID 116672458

IUPAC(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2sc(N3CCCC3)nc2N)C1
InChIInChI=1S/C15H24N4OS/c1-2-5-11-6-9-19(10-11)14(20)12-13(16)17-15(21-12)18-7-3-4-8-18/h11H,2-10,16H2,1H3
InChIKeyQWIPUIMEPMQCQZ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.59
Rot. Bonds4

About (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone

(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone (PubChem CID 116672458) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone
PubChem CID116672458
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2sc(N3CCCC3)nc2N)C1
InChIInChI=1S/C15H24N4OS/c1-2-5-11-6-9-19(10-11)14(20)12-13(16)17-15(21-12)18-7-3-4-8-18/h11H,2-10,16H2,1H3
InChIKeyQWIPUIMEPMQCQZ-UHFFFAOYSA-N
XLogP2.59
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone
CID 116672457
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone
CID 116672456
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 116663346
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 116666223
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 116665909
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 116667420
[4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667403
[4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 116670854
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 116669483
1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one
CID 96603841
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114802978
4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116668009

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone (CID 116672458) is (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone is CCCC1CCN(C(=O)c2sc(N3CCCC3)nc2N)C1.
What is the InChIKey of (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone?
The InChIKey is QWIPUIMEPMQCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-2-5-11-6-9-19(10-11)14(20)12-13(16)17-15(21-12)18-7-3-4-8-18/h11H,2-10,16H2,1H3.
What are the key properties of (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone?
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone has a molecular weight of 308.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 116672458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).