2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide

C11H14ClN5OS — CID 75598714

IUPAC2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide
SMILESCC(N)C(=O)NC1CCN(c2snc(Cl)c2C#N)C1
InChIInChI=1S/C11H14ClN5OS/c1-6(14)10(18)15-7-2-3-17(5-7)11-8(4-13)9(12)16-19-11/h6-7H,2-3,5,14H2,1H3,(H,15,18)
InChIKeyQBKPXEUGUGSSLW-UHFFFAOYSA-N
MW299.79 g/mol
LogP0.71
Rot. Bonds3

About 2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide

2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide (PubChem CID 75598714) has the molecular formula C11H14ClN5OS and a molecular weight of 299.79 g/mol. Its IUPAC name is 2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide
PubChem CID75598714
Molecular FormulaC11H14ClN5OS
Molecular Weight299.79 g/mol
Exact Mass299.06
IUPAC Name2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide
SMILESCC(N)C(=O)NC1CCN(c2snc(Cl)c2C#N)C1
InChIInChI=1S/C11H14ClN5OS/c1-6(14)10(18)15-7-2-3-17(5-7)11-8(4-13)9(12)16-19-11/h6-7H,2-3,5,14H2,1H3,(H,15,18)
InChIKeyQBKPXEUGUGSSLW-UHFFFAOYSA-N
XLogP0.71
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.79
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide (CID 75598714) is 2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide is CC(N)C(=O)NC1CCN(c2snc(Cl)c2C#N)C1.
What is the InChIKey of 2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide?
The InChIKey is QBKPXEUGUGSSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5OS/c1-6(14)10(18)15-7-2-3-17(5-7)11-8(4-13)9(12)16-19-11/h6-7H,2-3,5,14H2,1H3,(H,15,18).
What are the key properties of 2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide?
2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide has a molecular weight of 299.79 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 75598714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).