1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide

C13H19N5O2S — CID 116669141

IUPAC1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C13H19N5O2S/c14-10-9(21-13(16-10)17-5-1-2-6-17)12(20)18-7-3-4-8(18)11(15)19/h8H,1-7,14H2,(H2,15,19)
InChIKeyFTXIXRLDSQSGLS-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.42
Rot. Bonds3

About 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide

1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 116669141) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID116669141
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C13H19N5O2S/c14-10-9(21-13(16-10)17-5-1-2-6-17)12(20)18-7-3-4-8(18)11(15)19/h8H,1-7,14H2,(H2,15,19)
InChIKeyFTXIXRLDSQSGLS-UHFFFAOYSA-N
XLogP0.42
TPSA105.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]piperidine-2-carboxamide
CID 116664208
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 116669483
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 116665909
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 116666223
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 116663346
[4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667403
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 116665932
4-amino-2-(azepan-1-yl)-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide
CID 116669443
1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one
CID 96603841
4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 95732618
4-amino-N-cyclopentyl-N-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116669506
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 116672458

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide (CID 116669141) is 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)c1sc(N2CCCC2)nc1N.
What is the InChIKey of 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is FTXIXRLDSQSGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c14-10-9(21-13(16-10)17-5-1-2-6-17)12(20)18-7-3-4-8(18)11(15)19/h8H,1-7,14H2,(H2,15,19).
What are the key properties of 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide?
1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 309.40 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 116669141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).