[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone

C15H26N4OS — CID 116672457

IUPAC[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2sc(N(CC)CC)nc2N)C1
InChIInChI=1S/C15H26N4OS/c1-4-7-11-8-9-19(10-11)14(20)12-13(16)17-15(21-12)18(5-2)6-3/h11H,4-10,16H2,1-3H3
InChIKeyRKPXAKXLSQFIFU-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.83
Rot. Bonds6

About [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone

[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone (PubChem CID 116672457) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone
PubChem CID116672457
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2sc(N(CC)CC)nc2N)C1
InChIInChI=1S/C15H26N4OS/c1-4-7-11-8-9-19(10-11)14(20)12-13(16)17-15(21-12)18(5-2)6-3/h11H,4-10,16H2,1-3H3
InChIKeyRKPXAKXLSQFIFU-UHFFFAOYSA-N
XLogP2.83
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 116672441
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 116672458
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone
CID 116672456
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229399
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 116667002
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 116665893
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229398
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpiperidin-1-yl)methanone
CID 116673615
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666684
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 116669079
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone
CID 116666847
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114802978

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone (CID 116672457) is [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone is CCCC1CCN(C(=O)c2sc(N(CC)CC)nc2N)C1.
What is the InChIKey of [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone?
The InChIKey is RKPXAKXLSQFIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-7-11-8-9-19(10-11)14(20)12-13(16)17-15(21-12)18(5-2)6-3/h11H,4-10,16H2,1-3H3.
What are the key properties of [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone?
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone has a molecular weight of 310.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 116672457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).