[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone

C14H23N5OS — CID 116674004

IUPAC[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CC(C)N(C(=O)c2sc(N3CCC(N)C3)nc2N)C1
InChIInChI=1S/C14H23N5OS/c1-8-5-9(2)19(6-8)13(20)11-12(16)17-14(21-11)18-4-3-10(15)7-18/h8-10H,3-7,15-16H2,1-2H3
InChIKeyUGBDMIYTYDXKPN-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.13
Rot. Bonds2

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

[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 116674004) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID116674004
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CC(C)N(C(=O)c2sc(N3CCC(N)C3)nc2N)C1
InChIInChI=1S/C14H23N5OS/c1-8-5-9(2)19(6-8)13(20)11-12(16)17-14(21-11)18-4-3-10(15)7-18/h8-10H,3-7,15-16H2,1-2H3
InChIKeyUGBDMIYTYDXKPN-UHFFFAOYSA-N
XLogP1.13
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone (CID 116674004) is [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone is CC1CC(C)N(C(=O)c2sc(N3CCC(N)C3)nc2N)C1.
What is the InChIKey of [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is UGBDMIYTYDXKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-8-5-9(2)19(6-8)13(20)11-12(16)17-14(21-11)18-4-3-10(15)7-18/h8-10H,3-7,15-16H2,1-2H3.
What are the key properties of [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone?
[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 309.44 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 116674004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).