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

C18H23N3O3S2 — CID 110357360

IUPACN-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESO=C(CCCC(=O)c1cccs1)NCc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C18H23N3O3S2/c22-15(16-4-2-10-25-16)3-1-5-17(23)19-11-18-20-14(13-26-18)12-21-6-8-24-9-7-21/h2,4,10,13H,1,3,5-9,11-12H2,(H,19,23)
InChIKeyDWRHPBRVAXJDSZ-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.71
Rot. Bonds9

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

N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide (PubChem CID 110357360) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide
PubChem CID110357360
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESO=C(CCCC(=O)c1cccs1)NCc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C18H23N3O3S2/c22-15(16-4-2-10-25-16)3-1-5-17(23)19-11-18-20-14(13-26-18)12-21-6-8-24-9-7-21/h2,4,10,13H,1,3,5-9,11-12H2,(H,19,23)
InChIKeyDWRHPBRVAXJDSZ-UHFFFAOYSA-N
XLogP2.71
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359921
2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359917
2-(2-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 110359915
3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359916
3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 3022656
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108737687
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 30547818
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 27889825
N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 110298004
N-[[4-(1,4-oxazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62974846
2-cyclopentyl-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110355326
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 24549403

Frequently Asked Questions

What is the IUPAC name of N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide (CID 110357360) is N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide is O=C(CCCC(=O)c1cccs1)NCc1nc(CN2CCOCC2)cs1.
What is the InChIKey of N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide?
The InChIKey is DWRHPBRVAXJDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c22-15(16-4-2-10-25-16)3-1-5-17(23)19-11-18-20-14(13-26-18)12-21-6-8-24-9-7-21/h2,4,10,13H,1,3,5-9,11-12H2,(H,19,23).
What are the key properties of N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide?
N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide has a molecular weight of 393.53 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110357360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).