2-[3-[[2-[(3,3-dimethylpyrrolidine-2-carbonyl)amino]acetyl]amino]propyl]-1,3-thiazole-4-carboxamide

C16H25N5O3S — CID 130456434

IUPAC2-[3-[[2-[(3,3-dimethylpyrrolidine-2-carbonyl)amino]acetyl]amino]propyl]-1,3-thiazole-4-carboxamide
SMILESCC1(C)CCNC1C(=O)NCC(=O)NCCCc1nc(C(N)=O)cs1
InChIInChI=1S/C16H25N5O3S/c1-16(2)5-7-19-13(16)15(24)20-8-11(22)18-6-3-4-12-21-10(9-25-12)14(17)23/h9,13,19H,3-8H2,1-2H3,(H2,17,23)(H,18,22)(H,20,24)
InChIKeyZMUYNNQAFKJPCQ-UHFFFAOYSA-N
MW367.48 g/mol
LogP-0.20
Rot. Bonds8

About 2-[3-[[2-[(3,3-dimethylpyrrolidine-2-carbonyl)amino]acetyl]amino]propyl]-1,3-thiazole-4-carboxamide

2-[3-[[2-[(3,3-dimethylpyrrolidine-2-carbonyl)amino]acetyl]amino]propyl]-1,3-thiazole-4-carboxamide (PubChem CID 130456434) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-[3-[[2-[(3,3-dimethylpyrrolidine-2-carbonyl)amino]acetyl]amino]propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[[2-[(3,3-dimethylpyrrolidine-2-carbonyl)amino]acetyl]amino]propyl]-1,3-thiazole-4-carboxamide
PubChem CID130456434
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name2-[3-[[2-[(3,3-dimethylpyrrolidine-2-carbonyl)amino]acetyl]amino]propyl]-1,3-thiazole-4-carboxamide
SMILESCC1(C)CCNC1C(=O)NCC(=O)NCCCc1nc(C(N)=O)cs1
InChIInChI=1S/C16H25N5O3S/c1-16(2)5-7-19-13(16)15(24)20-8-11(22)18-6-3-4-12-21-10(9-25-12)14(17)23/h9,13,19H,3-8H2,1-2H3,(H2,17,23)(H,18,22)(H,20,24)
InChIKeyZMUYNNQAFKJPCQ-UHFFFAOYSA-N
XLogP-0.20
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-[(3,3-dimethylpyrrolidine-2-carbonyl)amino]acetyl]amino]propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-[[2-[(3,3-dimethylpyrrolidine-2-carbonyl)amino]acetyl]amino]propyl]-1,3-thiazole-4-carboxamide (CID 130456434) is 2-[3-[[2-[(3,3-dimethylpyrrolidine-2-carbonyl)amino]acetyl]amino]propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-[[2-[(3,3-dimethylpyrrolidine-2-carbonyl)amino]acetyl]amino]propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-[[2-[(3,3-dimethylpyrrolidine-2-carbonyl)amino]acetyl]amino]propyl]-1,3-thiazole-4-carboxamide is CC1(C)CCNC1C(=O)NCC(=O)NCCCc1nc(C(N)=O)cs1.
What is the InChIKey of 2-[3-[[2-[(3,3-dimethylpyrrolidine-2-carbonyl)amino]acetyl]amino]propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZMUYNNQAFKJPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-16(2)5-7-19-13(16)15(24)20-8-11(22)18-6-3-4-12-21-10(9-25-12)14(17)23/h9,13,19H,3-8H2,1-2H3,(H2,17,23)(H,18,22)(H,20,24).
What are the key properties of 2-[3-[[2-[(3,3-dimethylpyrrolidine-2-carbonyl)amino]acetyl]amino]propyl]-1,3-thiazole-4-carboxamide?
2-[3-[[2-[(3,3-dimethylpyrrolidine-2-carbonyl)amino]acetyl]amino]propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 367.48 g/mol, XLogP of -0.20, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-[(3,3-dimethylpyrrolidine-2-carbonyl)amino]acetyl]amino]propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 130456434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).