[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone

C19H30N4O3S — CID 25268867

IUPAC[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCCN(c2ncc(CN3CCOCC3)s2)CC1
InChIInChI=1S/C19H30N4O3S/c24-18(16-2-10-25-11-3-16)22-4-1-5-23(7-6-22)19-20-14-17(27-19)15-21-8-12-26-13-9-21/h14,16H,1-13,15H2
InChIKeyBYXQNCGQCAKEAW-UHFFFAOYSA-N
MW394.54 g/mol
LogP1.44
Rot. Bonds4

About [4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone

[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone (PubChem CID 25268867) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is [4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
PubChem CID25268867
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC Name[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCCN(c2ncc(CN3CCOCC3)s2)CC1
InChIInChI=1S/C19H30N4O3S/c24-18(16-2-10-25-11-3-16)22-4-1-5-23(7-6-22)19-20-14-17(27-19)15-21-8-12-26-13-9-21/h14,16H,1-13,15H2
InChIKeyBYXQNCGQCAKEAW-UHFFFAOYSA-N
XLogP1.44
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(5-chloropyrimidin-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 138386426
cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165434688
5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole
CID 118472763
cyclobutyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158631
[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268514
oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343062
[4-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25267804
oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334392
(4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165422199
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-ol
CID 70783509
N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 26318359
oxolan-3-yl-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 137338980

Frequently Asked Questions

What is the IUPAC name of [4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone (CID 25268867) is [4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCCN(c2ncc(CN3CCOCC3)s2)CC1.
What is the InChIKey of [4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone?
The InChIKey is BYXQNCGQCAKEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S/c24-18(16-2-10-25-11-3-16)22-4-1-5-23(7-6-22)19-20-14-17(27-19)15-21-8-12-26-13-9-21/h14,16H,1-13,15H2.
What are the key properties of [4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone?
[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone has a molecular weight of 394.54 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 25268867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).