N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide

C21H23N3O2S2 — CID 17462344

IUPACN-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1nc(-c2ccc(CNC(=O)c3ccc(CN4CCOCC4)cc3)s2)cs1
InChIInChI=1S/C21H23N3O2S2/c1-15-23-19(14-27-15)20-7-6-18(28-20)12-22-21(25)17-4-2-16(3-5-17)13-24-8-10-26-11-9-24/h2-7,14H,8-13H2,1H3,(H,22,25)
InChIKeyHXPRCSOYEQOAMA-UHFFFAOYSA-N
MW413.57 g/mol
LogP3.94
Rot. Bonds6

About N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide

N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 17462344) has the molecular formula C21H23N3O2S2 and a molecular weight of 413.57 g/mol. Its IUPAC name is N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID17462344
Molecular FormulaC21H23N3O2S2
Molecular Weight413.57 g/mol
Exact Mass413.12
IUPAC NameN-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1nc(-c2ccc(CNC(=O)c3ccc(CN4CCOCC4)cc3)s2)cs1
InChIInChI=1S/C21H23N3O2S2/c1-15-23-19(14-27-15)20-7-6-18(28-20)12-22-21(25)17-4-2-16(3-5-17)13-24-8-10-26-11-9-24/h2-7,14H,8-13H2,1H3,(H,22,25)
InChIKeyHXPRCSOYEQOAMA-UHFFFAOYSA-N
XLogP3.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide (CID 17462344) is N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide is Cc1nc(-c2ccc(CNC(=O)c3ccc(CN4CCOCC4)cc3)s2)cs1.
What is the InChIKey of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is HXPRCSOYEQOAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S2/c1-15-23-19(14-27-15)20-7-6-18(28-20)12-22-21(25)17-4-2-16(3-5-17)13-24-8-10-26-11-9-24/h2-7,14H,8-13H2,1H3,(H,22,25).
What are the key properties of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide?
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 413.57 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 17462344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).