N-[(3S,4R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

C17H22N4O3S — CID 70778350

IUPACN-[(3S,4R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)CCc2csc(N)n2)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C17H22N4O3S/c1-10-3-5-15(24-10)13-7-21(8-14(13)19-11(2)22)16(23)6-4-12-9-25-17(18)20-12/h3,5,9,13-14H,4,6-8H2,1-2H3,(H2,18,20)(H,19,22)/t13-,14-/m1/s1
InChIKeyXEUSSVACZZXUGH-ZIAGYGMSSA-N
MW362.46 g/mol
LogP1.69
Rot. Bonds5

About N-[(3S,4R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 70778350) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[(3S,4R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID70778350
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[(3S,4R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)CCc2csc(N)n2)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C17H22N4O3S/c1-10-3-5-15(24-10)13-7-21(8-14(13)19-11(2)22)16(23)6-4-12-9-25-17(18)20-12/h3,5,9,13-14H,4,6-8H2,1-2H3,(H2,18,20)(H,19,22)/t13-,14-/m1/s1
InChIKeyXEUSSVACZZXUGH-ZIAGYGMSSA-N
XLogP1.69
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (CID 70778350) is N-[(3S,4R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)CCc2csc(N)n2)C[C@H]1c1ccc(C)o1.
What is the InChIKey of N-[(3S,4R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is XEUSSVACZZXUGH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-10-3-5-15(24-10)13-7-21(8-14(13)19-11(2)22)16(23)6-4-12-9-25-17(18)20-12/h3,5,9,13-14H,4,6-8H2,1-2H3,(H2,18,20)(H,19,22)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 362.46 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70778350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).