N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide

C20H20N4O2S — CID 71086762

IUPACN-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1
InChIInChI=1S/C20H20N4O2S/c1-13(25)22-16-6-4-5-14(9-16)19-23-18(12-27-19)15-10-17(21-11-15)20(26)24-7-2-3-8-24/h4-6,9-12,21H,2-3,7-8H2,1H3,(H,22,25)
InChIKeyABZCXQGJBVWZBD-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.00
Rot. Bonds4

About N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide

N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide (PubChem CID 71086762) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide
PubChem CID71086762
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1
InChIInChI=1S/C20H20N4O2S/c1-13(25)22-16-6-4-5-14(9-16)19-23-18(12-27-19)15-10-17(21-11-15)20(26)24-7-2-3-8-24/h4-6,9-12,21H,2-3,7-8H2,1H3,(H,22,25)
InChIKeyABZCXQGJBVWZBD-UHFFFAOYSA-N
XLogP4.00
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide (CID 71086762) is N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1.
What is the InChIKey of N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide?
The InChIKey is ABZCXQGJBVWZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13(25)22-16-6-4-5-14(9-16)19-23-18(12-27-19)15-10-17(21-11-15)20(26)24-7-2-3-8-24/h4-6,9-12,21H,2-3,7-8H2,1H3,(H,22,25).
What are the key properties of N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide?
N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 71086762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).