N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide

C21H34N4O2S — CID 97059712

IUPACN-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide
SMILESCCc1nc(C)c([C@@H](C)N(C)CC(=O)NC[C@@H](c2ccco2)N(CC)CC)s1
InChIInChI=1S/C21H34N4O2S/c1-7-20-23-15(4)21(28-20)16(5)24(6)14-19(26)22-13-17(25(8-2)9-3)18-11-10-12-27-18/h10-12,16-17H,7-9,13-14H2,1-6H3,(H,22,26)/t16-,17+/m1/s1
InChIKeyPYZLSYXOQDDPCN-SJORKVTESA-N
MW406.60 g/mol
LogP3.80
Rot. Bonds11

About N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide

N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide (PubChem CID 97059712) has the molecular formula C21H34N4O2S and a molecular weight of 406.60 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide
PubChem CID97059712
Molecular FormulaC21H34N4O2S
Molecular Weight406.60 g/mol
Exact Mass406.24
IUPAC NameN-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide
SMILESCCc1nc(C)c([C@@H](C)N(C)CC(=O)NC[C@@H](c2ccco2)N(CC)CC)s1
InChIInChI=1S/C21H34N4O2S/c1-7-20-23-15(4)21(28-20)16(5)24(6)14-19(26)22-13-17(25(8-2)9-3)18-11-10-12-27-18/h10-12,16-17H,7-9,13-14H2,1-6H3,(H,22,26)/t16-,17+/m1/s1
InChIKeyPYZLSYXOQDDPCN-SJORKVTESA-N
XLogP3.80
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide?
The IUPAC name of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide (CID 97059712) is N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide is CCc1nc(C)c([C@@H](C)N(C)CC(=O)NC[C@@H](c2ccco2)N(CC)CC)s1.
What is the InChIKey of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide?
The InChIKey is PYZLSYXOQDDPCN-SJORKVTESA-N. The full InChI is InChI=1S/C21H34N4O2S/c1-7-20-23-15(4)21(28-20)16(5)24(6)14-19(26)22-13-17(25(8-2)9-3)18-11-10-12-27-18/h10-12,16-17H,7-9,13-14H2,1-6H3,(H,22,26)/t16-,17+/m1/s1.
What are the key properties of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide?
N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide has a molecular weight of 406.60 g/mol, XLogP of 3.80, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide is sourced from PubChem (CID 97059712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).