(6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone

C10H14N2O3S2 — CID 70766985

IUPAC(6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
SMILESCSc1nc(C(=O)N2CCOCC(O)C2)cs1
InChIInChI=1S/C10H14N2O3S2/c1-16-10-11-8(6-17-10)9(14)12-2-3-15-5-7(13)4-12/h6-7,13H,2-5H2,1H3
InChIKeyJBYKOESSNDMDRF-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.70
Rot. Bonds2

About (6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone

(6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone (PubChem CID 70766985) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is (6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
PubChem CID70766985
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name(6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
SMILESCSc1nc(C(=O)N2CCOCC(O)C2)cs1
InChIInChI=1S/C10H14N2O3S2/c1-16-10-11-8(6-17-10)9(14)12-2-3-15-5-7(13)4-12/h6-7,13H,2-5H2,1H3
InChIKeyJBYKOESSNDMDRF-UHFFFAOYSA-N
XLogP0.70
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6-hydroxy-1,4-oxazepan-4-yl)-(5-propylthiophen-3-yl)methanone
CID 70730804
(2-methylsulfanyl-1,3-thiazol-4-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 70721103
6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide
CID 131062493
(6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 70709910
6-hydroxy-1,4-oxazepane-4-carboxamide
CID 130942569
(6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone
CID 74231738
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66379644
[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
CID 97279430
[4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
CID 91775347
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107217663
(2S)-6-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26324204

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone (CID 70766985) is (6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone is CSc1nc(C(=O)N2CCOCC(O)C2)cs1.
What is the InChIKey of (6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
The InChIKey is JBYKOESSNDMDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-16-10-11-8(6-17-10)9(14)12-2-3-15-5-7(13)4-12/h6-7,13H,2-5H2,1H3.
What are the key properties of (6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
(6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone has a molecular weight of 274.37 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1,4-oxazepan-4-yl)-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 70766985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).