N-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide

C19H28N4O4S — CID 171908261

IUPACN-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESC[C@@H](NC(=O)CCN1CCCCCC1=O)c1nc(C(=O)N2CCOCC2)cs1
InChIInChI=1S/C19H28N4O4S/c1-14(20-16(24)6-8-22-7-4-2-3-5-17(22)25)18-21-15(13-28-18)19(26)23-9-11-27-12-10-23/h13-14H,2-12H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyPXEDNNPMWLZBOE-CQSZACIVSA-N
MW408.52 g/mol
LogP1.59
Rot. Bonds6

About N-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide

N-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 171908261) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide
PubChem CID171908261
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC NameN-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESC[C@@H](NC(=O)CCN1CCCCCC1=O)c1nc(C(=O)N2CCOCC2)cs1
InChIInChI=1S/C19H28N4O4S/c1-14(20-16(24)6-8-22-7-4-2-3-5-17(22)25)18-21-15(13-28-18)19(26)23-9-11-27-12-10-23/h13-14H,2-12H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyPXEDNNPMWLZBOE-CQSZACIVSA-N
XLogP1.59
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide
CID 171386800
N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide
CID 131945632
N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 99974343
2-[1-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372502
N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95297523
2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380788
3-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 125444216
methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 66388535
2-[1-[3-(triazol-1-yl)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380996
morpholin-4-yl-[2-(2-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 46067271
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
2-[1-[3-(ethylamino)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379246

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide (CID 171908261) is N-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide is C[C@@H](NC(=O)CCN1CCCCCC1=O)c1nc(C(=O)N2CCOCC2)cs1.
What is the InChIKey of N-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is PXEDNNPMWLZBOE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-14(20-16(24)6-8-22-7-4-2-3-5-17(22)25)18-21-15(13-28-18)19(26)23-9-11-27-12-10-23/h13-14H,2-12H2,1H3,(H,20,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide?
N-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 408.52 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 171908261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).