N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide

C18H23N3O3S — CID 70762741

IUPACN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCCCc1nc(C(=O)N2C[C@@H](NC(C)=O)[C@H](c3ccc(C)o3)C2)cs1
InChIInChI=1S/C18H23N3O3S/c1-4-5-17-20-15(10-25-17)18(23)21-8-13(14(9-21)19-12(3)22)16-7-6-11(2)24-16/h6-7,10,13-14H,4-5,8-9H2,1-3H3,(H,19,22)/t13-,14-/m1/s1
InChIKeyPFUFLGVFCGEACY-ZIAGYGMSSA-N
MW361.47 g/mol
LogP2.74
Rot. Bonds5

About N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 70762741) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID70762741
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCCCc1nc(C(=O)N2C[C@@H](NC(C)=O)[C@H](c3ccc(C)o3)C2)cs1
InChIInChI=1S/C18H23N3O3S/c1-4-5-17-20-15(10-25-17)18(23)21-8-13(14(9-21)19-12(3)22)16-7-6-11(2)24-16/h6-7,10,13-14H,4-5,8-9H2,1-3H3,(H,19,22)/t13-,14-/m1/s1
InChIKeyPFUFLGVFCGEACY-ZIAGYGMSSA-N
XLogP2.74
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide (CID 70762741) is N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide is CCCc1nc(C(=O)N2C[C@@H](NC(C)=O)[C@H](c3ccc(C)o3)C2)cs1.
What is the InChIKey of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is PFUFLGVFCGEACY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-5-17-20-15(10-25-17)18(23)21-8-13(14(9-21)19-12(3)22)16-7-6-11(2)24-16/h6-7,10,13-14H,4-5,8-9H2,1-3H3,(H,19,22)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70762741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).