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

C19H20N4O3S — CID 71140866

IUPACN-(furan-3-ylmethyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1nc(-c2c[nH]c(C(=O)N3CCCC3)c2)cs1)NCc1ccoc1
InChIInChI=1S/C19H20N4O3S/c24-17(21-9-13-3-6-26-11-13)8-18-22-16(12-27-18)14-7-15(20-10-14)19(25)23-4-1-2-5-23/h3,6-7,10-12,20H,1-2,4-5,8-9H2,(H,21,24)
InChIKeyCAPWTHFGJVHHEK-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.83
Rot. Bonds6

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

N-(furan-3-ylmethyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 71140866) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID71140866
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-(furan-3-ylmethyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1nc(-c2c[nH]c(C(=O)N3CCCC3)c2)cs1)NCc1ccoc1
InChIInChI=1S/C19H20N4O3S/c24-17(21-9-13-3-6-26-11-13)8-18-22-16(12-27-18)14-7-15(20-10-14)19(25)23-4-1-2-5-23/h3,6-7,10-12,20H,1-2,4-5,8-9H2,(H,21,24)
InChIKeyCAPWTHFGJVHHEK-UHFFFAOYSA-N
XLogP2.83
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(furan-3-ylmethyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide (CID 71140866) is N-(furan-3-ylmethyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(furan-3-ylmethyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide is O=C(Cc1nc(-c2c[nH]c(C(=O)N3CCCC3)c2)cs1)NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CAPWTHFGJVHHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-17(21-9-13-3-6-26-11-13)8-18-22-16(12-27-18)14-7-15(20-10-14)19(25)23-4-1-2-5-23/h3,6-7,10-12,20H,1-2,4-5,8-9H2,(H,21,24).
What are the key properties of N-(furan-3-ylmethyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide?
N-(furan-3-ylmethyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71140866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).