1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide

C13H21N5O2S — CID 106317421

IUPAC1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCNc1nc(N)c(C(=O)N2CCC(C)(C(=O)NC)C2)s1
InChIInChI=1S/C13H21N5O2S/c1-4-16-12-17-9(14)8(21-12)10(19)18-6-5-13(2,7-18)11(20)15-3/h4-7,14H2,1-3H3,(H,15,20)(H,16,17)
InChIKeyNQZYOJWRBHOUMQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.76
Rot. Bonds4

About 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317421) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317421
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCNc1nc(N)c(C(=O)N2CCC(C)(C(=O)NC)C2)s1
InChIInChI=1S/C13H21N5O2S/c1-4-16-12-17-9(14)8(21-12)10(19)18-6-5-13(2,7-18)11(20)15-3/h4-7,14H2,1-3H3,(H,15,20)(H,16,17)
InChIKeyNQZYOJWRBHOUMQ-UHFFFAOYSA-N
XLogP0.76
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666691
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504889
1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 116668333
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 116662886
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 116670409
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone
CID 116670458
1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321573
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 116668339
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114802978
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 116671004
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114414582
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone
CID 116671227

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317421) is 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide is CCNc1nc(N)c(C(=O)N2CCC(C)(C(=O)NC)C2)s1.
What is the InChIKey of 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is NQZYOJWRBHOUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-4-16-12-17-9(14)8(21-12)10(19)18-6-5-13(2,7-18)11(20)15-3/h4-7,14H2,1-3H3,(H,15,20)(H,16,17).
What are the key properties of 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).